data_1r48_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 1r48 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HA ' HG12 ' A' ' 10' ' ' ILE . 17.7 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.895 0.379 . . . . 2.1699999999999999 110.74 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -76.97 -41.93 41.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 2.8100000000000001 110.319 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -62.49 -38.96 91.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.669 -0.696 . . . . 2.6400000000000001 110.671 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.7 pt -70.81 -43.47 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 1.2 111.233 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.64 -33.99 16.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.478 0.656 . . . . 1.5700000000000001 109.825 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.57 71.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.195 -0.911 . . . . 1.72 109.114 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' HG13 ' A' ' 17' ' ' ILE . 29.4 mt -59.85 -47.03 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.353 -0.839 . . . . 1.1299999999999999 110.193 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.6 -32.56 8.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 1.24 111.113 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -28.82 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.84999999999999998 110.191 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.2 mt-10 -84.98 -34.32 22.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.843 -0.617 . . . . 2.04 111.127 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -64.53 -33.24 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 1.1200000000000001 110.682 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.41 -38.34 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 1.1299999999999999 111.235 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -44.57 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.394 . . . . 1.54 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 11.1 mt -67.28 -51.84 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.1499999999999999 110.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.65 -33.92 35.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 2.2200000000000002 111.286 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.97 71.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 1.24 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -33.37 74.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 2.48 111.091 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -71.72 -46.99 56.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.52 111.3 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -55.54 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 1.1699999999999999 111.195 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -43.72 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 3.2200000000000002 110.333 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 1.9199999999999999 110.064 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.952 0.406 . . . . 1.8799999999999999 110.82 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -76.8 -43.44 36.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 3.0899999999999999 110.301 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -61.22 -39.61 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 2.6899999999999999 110.732 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.408 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 18.8 pt -69.78 -43.48 79.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 1.1599999999999999 111.226 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.22 -34.14 14.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.452 0.644 . . . . 1.6299999999999999 109.878 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.43 -47.77 72.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.261 -0.881 . . . . 1.6799999999999999 109.052 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.1 mt -59.44 -46.5 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.287 -0.869 . . . . 1.1399999999999999 110.16 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.48 -33.09 8.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 1.1799999999999999 111.055 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.66 60.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.81000000000000005 110.195 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -85.42 -34.6 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 2.0299999999999998 111.206 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.8 mt -64.07 -32.74 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 1.1299999999999999 110.697 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 -39.6 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 1.1100000000000001 111.222 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.81 -43.37 69.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 1.5700000000000001 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.1 mt -68.41 -52.29 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.2 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -52.26 -33.37 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 2.2000000000000002 111.249 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.82 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 1.2 111.08 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -33.21 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 2.3300000000000001 111.156 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.493 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -70.18 -43.83 70.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.351 -0.386 . . . . 1.52 111.168 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -55.36 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.23 111.288 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.1 ptm180 -50.06 -42.54 50.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.132 0.492 . . . . 3.2599999999999998 110.45 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -63.83 -36.96 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.639 . . . . 2.0600000000000001 110.003 179.094 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.58 -44.06 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 116.178 -0.464 . . . . 1.4299999999999999 110.04 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -32.17 33.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 2.2400000000000002 109.495 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.08 -31.81 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.509 -0.769 . . . . 2.5299999999999998 110.24 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 20.7 p-80 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 116.284 -0.416 . . . . 1.6000000000000001 111.007 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 2.1499999999999999 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -79.92 -43.38 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 2.7799999999999998 110.361 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -36.21 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.654 -0.703 . . . . 2.8799999999999999 110.768 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -70.49 -43.16 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 1.5600000000000001 111.132 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -49.14 -34.42 14.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.395 0.617 . . . . 1.48 109.804 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.27 -47.73 69.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.299 -0.864 . . . . 1.4099999999999999 109.584 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 17' ' ' ILE . 42.2 mt -60.94 -47.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.657 -0.701 . . . . 1.1599999999999999 110.372 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 2.7 t0 -48.25 -32.65 7.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.085 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -76.03 -28.83 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 1.3500000000000001 110.359 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.45 -33.8 23.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.988 -0.551 . . . . 2.0699999999999998 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.8 mt -64.6 -33.96 66.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.952 -0.567 . . . . 1.54 110.727 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.55 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.814 -0.63 . . . . 1.24 111.167 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.17 -44.36 71.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 1.79 110.997 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.1 mt -68.83 -50.31 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 1.23 111.003 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.62 -33.73 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 2.1499999999999999 111.133 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.47 66.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 1.28 111.124 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -70.89 -32.9 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 2.1299999999999999 111.057 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -72.24 -42.7 65.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 3.5 111.062 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -54.48 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 1.4399999999999999 111.231 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -48.72 -43.18 37.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 3.0099999999999998 110.504 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 1.96 110.075 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.899 0.381 . . . . 1.9399999999999999 110.729 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -79.02 -43.7 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.138 0.494 . . . . 2.79 110.151 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 2.79 110.69 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.57 -42.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 1.7 111.021 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.04 -34.87 10.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.403 0.62 . . . . 1.51 109.791 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.05 -48.26 68.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.851 . . . . 1.4399999999999999 109.446 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' B' ' 17' ' ' ILE . 31.1 mt -59.82 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.597 -0.729 . . . . 1.22 110.371 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.68 -32.41 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.3200000000000001 110.93 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.4199999999999999 110.309 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.4 mt-10 -85.32 -35.02 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 2.0299999999999998 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -63.39 -33.18 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.6000000000000001 110.721 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -36.76 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.768 -0.651 . . . . 1.2 111.152 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.15 -45.35 71.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.941 0.401 . . . . 1.5800000000000001 110.811 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.5 mt -68.46 -50.5 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.26 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -52.24 -31.29 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 2.3599999999999999 111.074 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.78 -33.75 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 1.1899999999999999 111.068 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -33.01 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 1.98 110.956 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -40.9 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 2.79 111.042 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -55.52 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 1.3400000000000001 111.372 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -48.72 -42.72 36.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.07 0.462 . . . . 3.3999999999999999 110.517 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -62.94 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.629 . . . . 2.0299999999999998 109.949 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -61.47 -44.82 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.074 -0.512 . . . . 1.3700000000000001 110.128 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -31.54 35.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 2.54 109.713 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.569 -0.742 . . . . 2.7599999999999998 110.307 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 23.3 p-80 . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 116.296 -0.411 . . . . 3.8700000000000001 111.02 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.946 0.403 . . . . 2.1499999999999999 110.722 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -43.67 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 2.7799999999999998 110.156 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -60.83 -43.18 98.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 2.8799999999999999 110.699 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 13.9 pt -67.15 -42.5 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 1.5600000000000001 111.058 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.18 -35.17 11.22 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.886 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -47.09 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.36 -0.836 . . . . 1.4099999999999999 109.504 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.3 mt -61.34 -47.72 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 1.1599999999999999 110.314 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.96 -31.8 5.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.025 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.9 -29.24 55.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 1.3500000000000001 110.449 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.5 mm-40 -84.53 -33.33 23.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 2.0699999999999998 110.937 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.9 mt -64.71 -36.3 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.54 110.66 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.06 -34.91 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.691 -0.686 . . . . 1.24 111.277 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -47.95 73.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.79 110.737 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.0 mt -64.01 -51.68 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 1.23 110.838 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -49.03 -30.37 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.474 . . . . 2.1499999999999999 111.044 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.85 67.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 1.28 111.004 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.19 -33.23 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 2.1299999999999999 111.054 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.63 -43.11 66.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 3.5 111.129 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -54.73 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 1.4399999999999999 111.253 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -49.21 -44.98 43.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 3.0099999999999998 110.407 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.763 -0.653 . . . . 1.96 109.899 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 CA--C 1.524 -0.041 0 CA-C-O 120.951 0.405 . . . . 1.9399999999999999 110.722 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.43 -43.2 27.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 2.79 110.114 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -60.57 -36.51 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.567 -0.742 . . . . 2.79 110.815 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.1 pt -70.69 -43.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 1.7 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -34.47 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.404 0.621 . . . . 1.51 109.817 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -47.01 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.273 -0.876 . . . . 1.4399999999999999 109.515 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.466 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.4 mt -61.0 -48.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 1.22 110.372 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 3.3 t0 -48.41 -31.82 6.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 1.3200000000000001 110.97 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.38 -28.38 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 1.4199999999999999 110.393 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 2.0299999999999998 110.944 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.9 mt -64.17 -34.63 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 1.6000000000000001 110.647 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.82 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.693 -0.685 . . . . 1.2 111.285 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.33 -43.48 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 1.5800000000000001 110.848 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.2 mt -69.6 -49.74 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 1.26 110.85 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.18 -34.69 32.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 2.3599999999999999 111.121 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.27 73.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 1.1899999999999999 111.035 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -32.96 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.98 111.056 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -42.96 61.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.79 111.101 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -53.66 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.3400000000000001 111.209 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -49.85 -44.93 49.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.139 0.495 . . . . 3.3999999999999999 110.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.413 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 mt -61.57 -37.31 83.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 2.0299999999999998 110.0 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -64.82 -43.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 1.3700000000000001 110.091 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -52.99 -28.52 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 2.54 109.855 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -76.49 -31.16 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.7599999999999998 110.497 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.1 p-80 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.9 0.381 . . . . 3.8700000000000001 110.994 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 2.1499999999999999 110.809 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -74.71 -40.35 61.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.111 0.482 . . . . 2.7799999999999998 110.195 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -60.69 -40.0 90.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 2.8799999999999999 110.89 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.6 pt -70.06 -43.18 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 1.5600000000000001 111.097 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.99 -34.41 9.26 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.389 0.614 . . . . 1.48 109.998 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -68.22 -48.29 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.324 -0.853 . . . . 1.4099999999999999 109.597 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.2 mt -59.93 -48.05 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.692 -0.685 . . . . 1.1599999999999999 110.287 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.83 -32.82 9.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.223 -0.444 . . . . 1.29 111.136 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.87 -28.15 60.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.3500000000000001 110.288 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 mm-40 -85.7 -35.81 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 2.0699999999999998 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -62.54 -32.25 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 1.54 110.64 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.62 -37.16 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 1.24 111.082 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -54.18 -43.89 71.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.948 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.3 mt -70.33 -51.52 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.23 110.983 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -32.68 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 2.1499999999999999 111.144 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.98 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.28 111.225 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -35.48 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 2.1299999999999999 111.032 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -44.71 81.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 3.5 111.136 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -55.36 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 1.4399999999999999 111.239 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -48.8 -42.28 35.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.084 0.469 . . . . 3.0099999999999998 110.435 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 1.96 109.938 179.051 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.459 0.009 0 CA-C-O 120.836 0.35 . . . . 1.9399999999999999 110.82 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.23 -41.79 39.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.163 -0.472 . . . . 2.79 110.335 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.51 80.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 2.79 110.817 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.417 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.3 pt -71.89 -43.87 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 1.7 111.223 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.0 m-20 -49.0 -34.66 13.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.392 0.615 . . . . 1.51 109.88 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.6 -46.79 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.4399999999999999 109.521 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 17' ' ' ILE . 47.8 mt -61.2 -47.73 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 1.22 110.29 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -47.89 -33.13 7.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.273 -0.421 . . . . 1.3200000000000001 111.182 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -75.81 -28.91 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.4199999999999999 110.418 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.64 -33.84 23.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 2.0299999999999998 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.7 mt -64.07 -34.31 67.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 1.6000000000000001 110.649 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 -37.66 43.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.756 -0.657 . . . . 1.2 111.252 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -45.13 73.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.883 0.373 . . . . 1.5800000000000001 111.09 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.6 mt -67.13 -52.99 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.26 111.104 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -33.47 14.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.243 -0.435 . . . . 2.3599999999999999 111.225 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -33.5 66.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 1.1899999999999999 111.137 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.89 -32.83 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 1.98 111.123 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -42.17 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 2.79 111.236 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -54.17 39.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 1.3400000000000001 111.339 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -49.66 -44.18 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 3.3999999999999999 110.476 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.69 -36.52 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 2.0299999999999998 110.109 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.71 -43.2 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 1.3700000000000001 110.133 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.69 -33.16 46.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 2.54 109.65 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.79 -31.7 69.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.577 -0.738 . . . . 2.7599999999999998 110.199 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.2 p-80 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 3.8700000000000001 110.971 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 2.1499999999999999 110.803 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -42.29 21.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.187 0.518 . . . . 2.7799999999999998 110.149 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.601 -0.727 . . . . 2.8799999999999999 110.765 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.2 pt -71.84 -43.53 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 1.5600000000000001 111.049 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 10' ' ' ILE . 14.0 t70 -48.7 -34.62 12.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.354 0.597 . . . . 1.48 109.748 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.97 -49.36 65.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.356 -0.838 . . . . 1.4099999999999999 109.641 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 17' ' ' ILE . 42.9 mt -59.67 -47.29 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 1.1599999999999999 110.406 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -48.43 -32.87 8.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.002 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.66 -28.41 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 1.3500000000000001 110.381 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.7 mt-10 -84.59 -33.85 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 2.0699999999999998 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.0 mt -64.31 -33.9 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 1.54 110.663 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.35 -37.08 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 1.24 111.356 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.98 -43.94 70.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.946 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CB ' HG12 ' B' ' 17' ' ' ILE . 9.6 mt -69.04 -50.76 45.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.23 110.937 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.26 -34.65 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 2.1499999999999999 111.089 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.66 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.28 111.019 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -69.46 -32.48 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 2.1299999999999999 111.135 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.4 OUTLIER -71.12 -47.09 59.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 3.5 111.284 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -55.73 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 1.4399999999999999 111.294 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -43.45 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.069 0.462 . . . . 3.0099999999999998 110.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 1.96 109.956 179.108 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.35 . . . . 1.9399999999999999 110.757 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -78.1 -41.28 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 2.79 110.318 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.74 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.718 -0.673 . . . . 2.79 110.706 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 pt -68.93 -43.28 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 1.7 111.052 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.95 -34.7 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 1.51 109.738 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.05 -45.34 81.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.354 -0.839 . . . . 1.4399999999999999 109.099 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' B' ' 17' ' ' ILE . 34.3 mt -61.05 -45.68 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.327 -0.851 . . . . 1.22 109.956 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -48.68 -32.57 8.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.319 -0.4 . . . . 1.3200000000000001 110.875 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.53 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 1.4199999999999999 110.362 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mt-10 -85.06 -33.87 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 2.0299999999999998 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -64.24 -34.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 1.6000000000000001 110.683 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -36.2 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.686 -0.688 . . . . 1.2 111.157 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.73 -44.96 73.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.5800000000000001 110.895 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 6.5 mt -67.69 -50.71 56.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 1.26 110.912 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -51.71 -30.62 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 2.3599999999999999 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -34.0 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 1.1899999999999999 110.908 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -34.83 75.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 1.98 110.875 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -42.23 74.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 2.79 110.887 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -55.28 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 1.3400000000000001 111.259 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -48.74 -42.79 36.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.105 0.479 . . . . 3.3999999999999999 110.46 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 5.0 mp -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 2.0299999999999998 110.001 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 41.4 t -61.2 -43.45 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 116.14 -0.482 . . . . 1.3700000000000001 110.27 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.03 -33.58 52.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.8 -0.637 . . . . 2.54 109.602 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.31 -31.32 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.734 . . . . 2.7599999999999998 110.208 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 19.4 p-80 . . . . . 0 C--N 1.333 -0.129 0 CA-C-N 116.322 -0.399 . . . . 3.8700000000000001 111.01 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.895 0.378 . . . . 2.1499999999999999 110.793 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.48 -44.55 43.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 2.7799999999999998 110.201 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -43.87 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.76 -0.654 . . . . 2.8799999999999999 110.74 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 14.1 pt -67.29 -42.69 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.5600000000000001 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.34 -35.65 8.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.413 0.625 . . . . 1.48 109.909 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.61 -48.65 68.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 1.4099999999999999 109.489 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.3 mt -60.08 -46.92 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 1.1599999999999999 110.376 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.14 -32.85 7.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.287 -0.415 . . . . 1.29 111.045 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -29.17 59.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.3500000000000001 110.27 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.6 mt-10 -84.69 -33.72 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 2.0699999999999998 110.982 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.8 mt -64.88 -32.95 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 1.54 110.762 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.79 35.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 1.24 111.357 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.35 -45.05 69.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.958 0.409 . . . . 1.79 110.904 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.4 mt -68.3 -49.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 1.23 110.889 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.74 -37.31 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 2.1499999999999999 111.108 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.31 -35.02 77.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.28 110.852 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -65.37 -33.11 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 2.1299999999999999 111.073 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -73.37 -46.93 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 3.5 111.176 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -52.12 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 1.4399999999999999 111.332 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -51.72 -47.58 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 3.0099999999999998 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 6.6 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 1.96 110.043 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.907 0.384 . . . . 1.9399999999999999 110.794 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -76.75 -41.69 43.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 2.79 110.262 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -61.75 -40.72 96.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 2.79 110.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.424 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.4 pt -69.53 -43.04 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 1.7 111.152 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.8 -34.91 13.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.386 0.612 . . . . 1.51 109.985 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.0 -47.73 70.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.309 -0.86 . . . . 1.4399999999999999 109.398 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' B' ' 17' ' ' ILE . 24.1 mt -60.04 -46.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.463 -0.79 . . . . 1.22 110.162 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -48.71 -32.53 8.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 1.3200000000000001 111.009 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -28.78 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.4199999999999999 110.304 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 13' ' ' ILE . 4.0 mm-40 -85.03 -33.9 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 2.0299999999999998 111.009 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -65.2 -32.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.6000000000000001 110.773 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.33 -37.31 32.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 1.2 111.25 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.49 -43.74 68.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.3 mt -70.13 -49.94 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 1.26 110.969 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -37.68 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 111.159 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.31 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.1899999999999999 111.196 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.26 -32.46 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.98 111.02 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -72.42 -43.99 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 2.79 111.088 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -53.89 48.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.395 . . . . 1.3400000000000001 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -48.96 -43.67 40.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.089 0.471 . . . . 3.3999999999999999 110.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 1.2 mt -63.55 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.779 -0.646 . . . . 2.0299999999999998 110.126 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.81 -44.06 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.181 -0.463 . . . . 1.3700000000000001 110.249 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -31.52 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 2.54 109.807 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -71.37 -32.17 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.634 -0.712 . . . . 2.7599999999999998 110.285 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 22.9 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.278 -0.419 . . . . 3.8700000000000001 111.004 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.867 0.365 . . . . 2.1499999999999999 110.718 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -78.45 -40.83 34.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 2.7799999999999998 110.132 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -61.74 -38.97 89.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.698 -0.683 . . . . 2.8799999999999999 110.777 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.0 pt -69.45 -43.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.5600000000000001 111.06 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 -35.49 14.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.447 0.642 . . . . 1.48 109.658 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -66.67 -44.61 81.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.228 -0.897 . . . . 1.4099999999999999 109.101 178.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 17' ' ' ILE . 14.7 mt -60.9 -47.28 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 1.1599999999999999 110.139 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -48.51 -32.63 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.947 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -28.58 59.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.3500000000000001 110.335 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.5 mt-10 -85.31 -35.25 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 2.0699999999999998 110.981 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.9 mt -63.16 -33.23 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.542 . . . . 1.54 110.715 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -36.57 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.702 -0.681 . . . . 1.24 111.17 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -44.13 71.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 1.79 110.809 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.5 mt -69.21 -51.14 40.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.23 110.862 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.87 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 2.1499999999999999 111.098 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.81 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.28 110.936 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -35.54 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 2.1299999999999999 110.852 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -41.58 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 3.5 111.158 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -54.81 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 1.4399999999999999 111.411 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -49.36 -44.08 44.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.07 0.462 . . . . 3.0099999999999998 110.473 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.601 . . . . 1.96 109.866 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.941 0.401 . . . . 1.9399999999999999 110.744 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -77.83 -42.57 33.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 2.79 110.127 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.97 -36.81 80.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 2.79 110.79 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.2 pt -71.25 -43.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 1.7 111.151 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.39 -34.75 11.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.348 0.594 . . . . 1.51 109.761 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -67.53 -47.49 69.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.3 -0.864 . . . . 1.4399999999999999 109.543 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.7 mt -60.47 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.22 110.345 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -48.54 -32.55 8.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.3200000000000001 111.019 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.62 -28.26 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.4199999999999999 110.389 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 5.8 mm-40 -85.08 -35.12 22.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 2.0299999999999998 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.2 mt -62.96 -34.53 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.6000000000000001 110.623 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.9 38.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.744 -0.662 . . . . 1.2 111.193 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.13 -41.68 68.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.5800000000000001 111.074 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 11.2 mt -70.91 -56.14 6.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 1.26 111.069 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -39.19 36.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 2.3599999999999999 111.12 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.51 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 1.1899999999999999 110.817 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -74.54 -33.18 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 1.98 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.419 ' HG2' ' HB ' ' A' ' 10' ' ' ILE . 19.5 ttt180 -72.33 -44.22 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 2.79 111.149 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -54.45 45.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.3400000000000001 110.829 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -49.84 -42.78 48.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 3.3999999999999999 110.335 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.423 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.0 mm? -63.49 -38.16 90.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.794 -0.639 . . . . 2.0299999999999998 109.888 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 24.0 t -64.18 -43.08 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 1.3700000000000001 110.339 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -52.83 -32.78 46.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 2.54 109.978 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -71.2 -32.03 68.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 2.7599999999999998 110.329 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 38.5 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.905 0.383 . . . . 3.8700000000000001 111.092 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.844 0.354 . . . . 2.1499999999999999 110.667 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -75.55 -43.1 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 2.7799999999999998 110.086 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -43.96 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 2.8799999999999999 110.698 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 14.1 pt -66.61 -42.48 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.5600000000000001 110.911 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.65 -35.18 9.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.378 0.609 . . . . 1.48 109.879 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.82 -48.51 68.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.366 -0.834 . . . . 1.4099999999999999 109.61 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.473 ' O ' HG13 ' A' ' 17' ' ' ILE . 38.4 mt -60.17 -47.11 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.632 -0.713 . . . . 1.1599999999999999 110.335 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.73 -31.98 7.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 1.29 110.985 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.64 58.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.3500000000000001 110.334 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.32 -33.69 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 2.0699999999999998 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.9 mt -65.13 -33.57 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 1.54 110.593 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -36.52 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 1.24 111.218 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -53.28 -43.37 67.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 1.79 110.837 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.8 mt -70.33 -50.14 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 1.23 110.757 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.56 -34.99 52.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 2.1499999999999999 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.88 -33.09 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 1.28 110.898 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -36.42 81.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 2.1299999999999999 110.835 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -65.81 -46.85 77.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 3.5 111.067 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -55.56 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.4399999999999999 111.227 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -49.64 -43.56 46.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.101 0.476 . . . . 3.0099999999999998 110.432 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 1.96 109.968 178.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.826 0.346 . . . . 1.9399999999999999 110.686 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -39.25 29.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.11 0.481 . . . . 2.79 110.244 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -36.9 84.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 2.79 110.656 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 pt -70.11 -43.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.7 111.133 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -50.63 -34.82 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.429 0.633 . . . . 1.51 109.722 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -44.99 83.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.241 -0.89 . . . . 1.4399999999999999 109.201 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.495 ' O ' HG13 ' B' ' 17' ' ' ILE . 25.3 mt -61.9 -46.84 95.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.313 -0.858 . . . . 1.22 110.134 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 5.9 t0 -47.99 -31.46 5.35 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.277 -0.42 . . . . 1.3200000000000001 110.93 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -30.13 55.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 1.4199999999999999 110.493 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 13' ' ' ILE . 16.9 mt-10 -83.9 -32.31 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.599 . . . . 2.0299999999999998 111.012 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.2 mt -65.71 -36.25 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 1.6000000000000001 110.718 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.36 55.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 1.2 111.356 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 1.5800000000000001 110.857 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 6.3 mt -63.8 -51.1 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 1.26 110.79 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -48.86 -30.58 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 2.3599999999999999 110.976 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.99 -36.85 67.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 1.1899999999999999 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -66.4 -31.89 72.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 1.98 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -42.61 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 2.79 111.122 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -54.25 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 1.3400000000000001 111.32 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.9 -45.49 50.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.104 0.478 . . . . 3.3999999999999999 110.399 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.435 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 mt -60.38 -36.75 78.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.811 -0.632 . . . . 2.0299999999999998 110.077 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.14 -42.5 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.3700000000000001 110.108 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -52.78 -29.5 27.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.876 -0.602 . . . . 2.54 109.955 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.42 -31.08 57.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 2.7599999999999998 110.471 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.6 p-80 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.946 0.403 . . . . 3.8700000000000001 111.08 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.905 0.383 . . . . 2.1499999999999999 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -79.81 -40.48 28.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 2.7799999999999998 110.119 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.14 -36.31 79.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 2.8799999999999999 110.732 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.6 pt -71.12 -43.21 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.383 -0.371 . . . . 1.5600000000000001 111.09 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.44 -34.34 16.39 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.372 0.606 . . . . 1.48 109.826 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.82 -45.85 73.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 1.4099999999999999 109.523 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 17' ' ' ILE . 30.6 mt -61.7 -47.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.551 -0.75 . . . . 1.1599999999999999 110.327 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 2.8 t0 -48.86 -32.4 8.8 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.3 -0.409 . . . . 1.29 111.003 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.97 -28.51 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 1.3500000000000001 110.357 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.4 mm-40 -84.06 -33.99 24.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 2.0699999999999998 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.7 mt -64.28 -34.84 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 1.54 110.743 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -35.86 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 1.24 111.436 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 1.79 110.78 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 8.9 mt -62.79 -52.97 61.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 1.23 110.945 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.48 -30.15 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 2.1499999999999999 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.09 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.28 110.935 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -67.83 -31.32 71.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 2.1299999999999999 111.17 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -71.97 -42.46 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 3.5 111.248 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.22 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 1.4399999999999999 111.464 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -39.09 26.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.037 0.446 . . . . 3.0099999999999998 110.645 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 1.96 109.948 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.905 0.383 . . . . 1.9399999999999999 110.753 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -40.18 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 2.79 110.11 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -61.78 -36.92 82.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 2.79 110.803 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.28 -43.58 78.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.7 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.2 m-20 -49.71 -34.64 19.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.433 0.635 . . . . 1.51 109.804 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -45.57 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.301 -0.863 . . . . 1.4399999999999999 109.356 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.4 mt -61.16 -48.06 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.509 -0.769 . . . . 1.22 110.221 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.7 -31.62 7.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.242 -0.435 . . . . 1.3200000000000001 111.0 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -28.46 57.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.4199999999999999 110.357 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 6.4 mm-40 -85.54 -34.68 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.843 -0.617 . . . . 2.0299999999999998 110.967 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.6 mt -64.17 -33.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 1.6000000000000001 110.74 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.58 33.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.647 . . . . 1.2 111.16 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.8 -43.61 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.5800000000000001 110.839 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.8 mt -69.56 -51.05 39.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.26 110.837 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.12 -32.89 37.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 111.115 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.57 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.1899999999999999 110.904 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -36.46 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.98 111.03 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -43.71 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 2.79 111.027 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.34 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.3400000000000001 111.227 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -49.36 -44.07 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 3.3999999999999999 110.367 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 2.0299999999999998 109.937 179.146 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.9 t -64.53 -44.47 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.059 -0.519 . . . . 1.3700000000000001 110.106 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.39 -28.04 18.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.815 -0.629 . . . . 2.54 109.9 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -32.07 59.08 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.654 -0.703 . . . . 2.7599999999999998 110.421 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.6 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.228 -0.442 . . . . 3.8700000000000001 111.083 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.927 0.394 . . . . 2.1499999999999999 110.793 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.52 -44.95 40.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.14 0.495 . . . . 2.7799999999999998 110.201 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -59.95 -43.64 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 2.8799999999999999 110.841 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 14.0 pt -67.2 -42.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 1.5600000000000001 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -47.36 -35.5 8.27 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.4 0.619 . . . . 1.48 109.931 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -47.57 71.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.869 . . . . 1.4099999999999999 109.371 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.8 mt -60.25 -46.76 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.602 -0.726 . . . . 1.1599999999999999 110.305 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.28 -32.86 7.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.988 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.36 -29.09 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.3500000000000001 110.399 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.91 -33.46 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 2.0699999999999998 111.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -65.19 -32.67 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 1.54 110.704 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.44 -37.37 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 1.24 111.239 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.4 -45.01 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.96 0.409 . . . . 1.79 110.822 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.3 mt -68.62 -50.12 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 1.23 110.905 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -50.4 -36.85 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 2.1499999999999999 111.144 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 1.28 110.962 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -33.28 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 2.1299999999999999 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -74.37 -46.96 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.5 111.162 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -54.08 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 1.4399999999999999 111.22 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -46.03 62.2 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 3.0099999999999998 110.353 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.874 -0.603 . . . . 1.96 110.104 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.843 0.354 . . . . 1.9399999999999999 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.86 -44.01 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.106 0.479 . . . . 2.79 110.373 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -40.64 91.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.756 -0.657 . . . . 2.79 110.801 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.401 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 16.5 pt -68.03 -42.65 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.7 111.172 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -49.23 -34.92 16.08 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.364 0.602 . . . . 1.51 109.957 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -47.44 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.363 -0.835 . . . . 1.4399999999999999 109.201 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.484 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.0 mt -60.46 -46.29 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.412 -0.813 . . . . 1.22 110.152 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.33 -32.45 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 1.3200000000000001 110.955 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -29.45 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 1.4199999999999999 110.326 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 13' ' ' ILE . 21.1 mt-10 -84.36 -33.99 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 2.0299999999999998 111.039 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -64.88 -33.58 64.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 1.6000000000000001 110.738 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.23 -37.16 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 1.2 111.26 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -43.98 69.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 1.5800000000000001 111.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.1 mt -69.59 -49.55 52.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 1.26 110.967 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.45 -38.94 60.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 2.3599999999999999 111.247 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.92 94.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 1.1899999999999999 111.213 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -33.99 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 1.98 111.089 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -72.09 -44.6 62.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 2.79 111.288 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -55.76 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 1.3400000000000001 111.266 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -41.38 28.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 3.3999999999999999 110.488 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.417 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 2.4 mt -65.59 -38.52 89.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.914 -0.585 . . . . 2.0299999999999998 110.024 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.52 -46.23 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.3700000000000001 110.254 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -52.1 -32.12 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 2.54 109.702 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.87 -32.21 71.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.64 -0.709 . . . . 2.7599999999999998 110.224 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 28.6 p-80 . . . . . 0 CA--C 1.529 0.144 0 CA-C-N 116.225 -0.443 . . . . 3.8700000000000001 111.043 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.958 0.409 . . . . 2.1499999999999999 110.821 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -78.95 -43.34 24.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.17 0.509 . . . . 2.7799999999999998 110.284 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -37.82 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 2.8799999999999999 110.665 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.3 pt -69.71 -43.16 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 1.5600000000000001 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -48.96 -34.97 14.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.399 0.619 . . . . 1.48 109.955 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.93 -47.66 71.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.38 -0.827 . . . . 1.4099999999999999 109.37 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.2 mt -60.2 -46.04 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.549 -0.751 . . . . 1.1599999999999999 110.23 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -48.38 -33.8 9.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 1.29 110.939 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.3500000000000001 110.364 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.7 mm-40 -84.86 -34.05 22.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 2.0699999999999998 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.6 mt -64.51 -32.56 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.54 110.683 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.67 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.732 -0.667 . . . . 1.24 111.276 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -54.1 -44.2 71.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.982 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 8.9 mt -68.87 -51.96 34.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 1.23 111.016 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -35.19 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 2.1499999999999999 111.121 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.13 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 1.28 111.077 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -35.74 73.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 2.1299999999999999 111.071 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -41.47 74.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 3.5 111.178 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -55.23 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 1.4399999999999999 111.336 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -48.86 -41.56 33.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.01 0.433 . . . . 3.0099999999999998 110.605 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.566 . . . . 1.96 110.059 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.892 0.377 . . . . 1.9399999999999999 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -77.82 -41.52 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 2.79 110.259 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.68 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 2.79 110.783 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.62 -43.42 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 1.7 111.184 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.37 -34.53 10.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.398 0.618 . . . . 1.51 109.871 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -48.22 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.831 . . . . 1.4399999999999999 109.603 178.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' B' ' 17' ' ' ILE . 37.2 mt -60.57 -47.8 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.704 . . . . 1.22 110.374 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.9 t0 -48.31 -33.1 8.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 1.3200000000000001 111.02 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.37 -28.46 59.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 1.4199999999999999 110.349 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.84 -34.23 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 2.0299999999999998 110.889 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.8 mt -64.14 -33.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 1.6000000000000001 110.689 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -37.41 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.635 . . . . 1.2 111.232 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.82 -44.51 70.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 1.5800000000000001 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.9 mt -68.6 -50.66 49.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 1.26 111.01 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.14 -40.61 46.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.3599999999999999 111.231 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 1.1899999999999999 110.916 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -35.33 80.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 1.98 111.033 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.462 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -72.7 -44.79 61.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 2.79 111.278 -179.685 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -56.73 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 1.3400000000000001 111.349 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -42.83 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.121 0.486 . . . . 3.3999999999999999 110.487 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -63.26 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.0299999999999998 109.93 179.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.55 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 1.3700000000000001 110.198 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -33.79 43.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.936 -0.574 . . . . 2.54 109.623 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.83 -30.51 69.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.46 -0.791 . . . . 2.7599999999999998 110.308 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 24.5 p-80 . . . . . 0 CA--C 1.528 0.131 0 CA-C-N 116.256 -0.429 . . . . 3.8700000000000001 110.903 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 10' ' ' ILE . 4.8 tt0 . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.96 0.409 . . . . 2.1499999999999999 110.645 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -76.7 -41.56 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 2.7799999999999998 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.796 -0.638 . . . . 2.8799999999999999 110.778 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.3 pt -70.58 -43.32 77.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 1.5600000000000001 111.161 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.61 -34.6 18.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.425 0.631 . . . . 1.48 109.86 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.04 -46.36 74.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.243 -0.889 . . . . 1.4099999999999999 109.183 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 mt -60.03 -46.31 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.49 -0.777 . . . . 1.1599999999999999 110.096 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.62 -33.76 10.44 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.248 -0.433 . . . . 1.29 111.024 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.66 -28.3 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.3500000000000001 110.389 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.0 mt-10 -85.24 -34.36 21.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 2.0699999999999998 111.05 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.8 mt -64.02 -32.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 1.54 110.792 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -39.74 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.693 -0.685 . . . . 1.24 111.315 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.83 -42.75 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.79 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 10.1 mt -68.94 -54.23 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 1.23 111.046 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -51.98 -33.49 38.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 2.1499999999999999 111.264 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.74 63.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 1.28 111.226 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -35.42 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 2.1299999999999999 111.173 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.4 OUTLIER -66.77 -44.55 81.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 3.5 111.303 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -57.4 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 1.4399999999999999 111.175 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -39.5 25.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 3.0099999999999998 110.418 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 12.9 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.897 -0.592 . . . . 1.96 110.073 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.901 0.381 . . . . 1.9399999999999999 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.34 -40.53 43.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 2.79 110.286 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -63.04 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 2.79 110.692 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.418 HG13 ' N ' ' B' ' 11' ' ' ASP . 21.7 pt -71.02 -43.64 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.277 -0.42 . . . . 1.7 111.208 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t0 -50.28 -34.25 22.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.324 0.583 . . . . 1.51 109.882 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.381 -0.827 . . . . 1.4399999999999999 109.209 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.492 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.3 mt -60.99 -45.58 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.457 -0.792 . . . . 1.22 110.162 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -48.74 -33.59 10.53 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.278 -0.419 . . . . 1.3200000000000001 110.941 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -28.39 60.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 1.4199999999999999 110.398 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.28 -33.33 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.964 -0.562 . . . . 2.0299999999999998 111.068 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.2 mt -64.65 -33.26 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.153 0.501 . . . . 1.6000000000000001 110.719 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -38.04 34.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 1.2 111.2 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -43.67 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 1.5800000000000001 111.048 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 11.2 mt -68.53 -52.87 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.26 111.039 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -36.58 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 2.3599999999999999 111.163 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -28.55 63.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 1.1899999999999999 111.065 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.94 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.98 111.129 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.7 -45.46 71.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 2.79 111.263 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -55.3 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.3400000000000001 111.375 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.49 -45.01 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 3.3999999999999999 110.379 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -61.17 -38.19 85.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 2.0299999999999998 109.951 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.8 t -63.34 -44.83 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 116.205 -0.452 . . . . 1.3700000000000001 110.104 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -52.15 -28.1 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.54 109.856 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.83 -30.67 56.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.727 -0.669 . . . . 2.7599999999999998 110.502 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 31.4 p-80 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.853 0.359 . . . . 3.8700000000000001 111.055 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.882 0.373 . . . . 2.1499999999999999 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.53 -34.64 47.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 2.7799999999999998 110.324 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.83 83.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.849 -0.614 . . . . 2.8799999999999999 110.807 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.0 pt -70.55 -43.15 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 1.5600000000000001 111.084 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.29 -34.73 10.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.39 0.614 . . . . 1.48 109.882 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -67.65 -48.18 67.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.328 -0.851 . . . . 1.4099999999999999 109.485 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.5 mt -59.68 -47.56 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 1.1599999999999999 110.342 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 1.8 t70 -48.46 -32.98 8.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.366 -0.379 . . . . 1.29 111.026 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.17 -28.3 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 1.3500000000000001 110.406 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.8 mt-10 -85.19 -35.06 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.0699999999999998 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.0 mt -63.0 -33.42 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 1.54 110.652 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -36.79 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 1.24 111.247 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -44.29 73.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.997 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.9 mt -69.32 -51.17 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.23 111.015 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -38.03 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 2.1499999999999999 111.21 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.92 72.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 1.28 111.222 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -33.63 69.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 2.1299999999999999 111.098 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -73.2 -43.91 60.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 3.5 111.158 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.43 65.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 1.4399999999999999 111.249 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -50.53 -45.86 56.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 3.0099999999999998 110.457 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.8 mm? . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 1.96 109.966 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 1.9399999999999999 110.735 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.38 -42.32 54.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.486 . . . . 2.79 110.189 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -61.78 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 2.79 110.756 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 13.0 pt -68.35 -42.57 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 1.7 111.156 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.41 -35.81 8.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.417 0.627 . . . . 1.51 109.839 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.79 -47.32 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 1.4399999999999999 109.388 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' B' ' 17' ' ' ILE . 27.5 mt -60.42 -47.33 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.22 110.331 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.14 -32.77 7.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 1.3200000000000001 111.043 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -28.91 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.4199999999999999 110.398 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 13' ' ' ILE . 13.1 mt-10 -84.88 -33.46 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.582 . . . . 2.0299999999999998 110.926 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.7 mt -64.86 -33.36 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 1.6000000000000001 110.78 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -36.65 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 1.2 111.218 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.04 -44.0 70.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 1.5800000000000001 110.97 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.1 mt -69.51 -50.99 39.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 1.26 110.915 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -52.17 -30.95 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.3599999999999999 111.118 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.93 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.1899999999999999 111.007 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -72.38 -32.68 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 1.98 110.983 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.07 71.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 2.79 110.986 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -57.21 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.3400000000000001 111.351 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -35.53 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.387 . . . . 3.3999999999999999 110.64 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.5 mm? -70.0 -39.1 76.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 2.0299999999999998 109.804 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.87 -45.69 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 1.3700000000000001 110.193 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.9 -33.47 50.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.881 -0.6 . . . . 2.54 109.718 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 2.7599999999999998 110.282 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 56.3 p-80 . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 116.328 -0.396 . . . . 3.8700000000000001 111.039 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.886 0.374 . . . . 2.1499999999999999 110.942 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.38 -39.49 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.028 0.442 . . . . 2.7799999999999998 110.329 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -62.53 -37.88 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 2.8799999999999999 110.808 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -70.85 -43.02 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 1.5600000000000001 111.212 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t0 -50.61 -34.34 25.63 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.265 0.555 . . . . 1.48 109.918 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -45.9 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.436 -0.802 . . . . 1.4099999999999999 109.324 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.3 mt -60.97 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.385 -0.825 . . . . 1.1599999999999999 110.171 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -48.56 -33.56 9.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.972 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.85 -28.69 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.3500000000000001 110.351 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 5.1 mm-40 -84.67 -34.42 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.933 -0.576 . . . . 2.0699999999999998 110.924 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.4 mt -64.38 -32.24 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.54 110.712 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -37.02 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 1.24 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.42 -43.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.969 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.6 mt -70.03 -51.51 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.23 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.3 -33.28 28.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 2.1499999999999999 111.191 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.08 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 1.28 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -74.54 -31.86 62.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 2.1299999999999999 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -44.67 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 3.5 111.118 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -56.62 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 1.4399999999999999 111.28 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -47.98 -39.06 18.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.071 0.462 . . . . 3.0099999999999998 110.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 1.96 109.758 178.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.899 0.381 . . . . 1.9399999999999999 110.771 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -43.14 25.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 2.79 110.126 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -60.64 -36.03 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 2.79 110.79 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.3 pt -71.53 -43.56 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 1.7 111.152 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.64 -34.76 12.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.445 0.641 . . . . 1.51 109.781 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.51 -47.37 70.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.281 -0.872 . . . . 1.4399999999999999 109.46 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.478 ' O ' HG13 ' B' ' 17' ' ' ILE . 24.7 mt -60.03 -47.11 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.596 -0.729 . . . . 1.22 110.389 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -49.06 -33.07 10.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.294 -0.412 . . . . 1.3200000000000001 111.004 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -74.67 -28.21 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.4199999999999999 110.318 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.3 mt-10 -84.67 -34.88 22.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 2.0299999999999998 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 13' ' ' ILE . 12.5 mt -63.37 -32.58 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 1.6000000000000001 110.815 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.35 -37.96 31.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 1.2 111.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.16 -43.69 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 1.5800000000000001 111.037 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.2 mt -69.35 -52.22 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.26 111.037 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -37.23 39.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.3599999999999999 111.195 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -33.5 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.1899999999999999 111.018 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -36.19 80.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 1.98 111.016 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.465 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -69.38 -42.99 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 2.79 111.22 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -56.7 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.3400000000000001 111.219 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 3.5 ptm180 -49.93 -37.05 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.06 0.457 . . . . 3.3999999999999999 110.717 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 0.7 OUTLIER -69.43 -37.57 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 2.0299999999999998 109.926 179.087 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.62 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 1.3700000000000001 109.971 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -54.2 -30.98 51.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 2.54 109.504 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -72.83 -29.82 63.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.707 . . . . 2.7599999999999998 110.458 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 42.2 p-80 . . . . . 0 CA--C 1.53 0.177 0 CA-C-N 116.356 -0.384 . . . . 3.8700000000000001 111.06 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.739 0.304 . . . . 2.1499999999999999 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -76.19 -36.68 58.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 2.7799999999999998 110.725 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -57.71 -44.95 86.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 2.8799999999999999 110.991 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 12.9 pt -67.92 -42.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 1.5600000000000001 111.26 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -46.65 -35.62 6.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.47 0.652 . . . . 1.48 110.056 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.98 -47.77 67.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 1.4099999999999999 109.492 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 17' ' ' ILE . 31.2 mt -60.36 -48.46 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 1.1599999999999999 110.521 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 2.8 t0 -48.02 -33.23 7.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 1.29 111.176 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 1.3500000000000001 110.388 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.77 -34.41 22.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.875 -0.602 . . . . 2.0699999999999998 110.936 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.2 mt -63.89 -34.09 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.996 -0.547 . . . . 1.54 110.738 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.5 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.673 -0.694 . . . . 1.24 111.274 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.05 -48.17 73.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 1.79 110.837 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.9 mt -63.69 -53.45 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.883 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -47.97 -30.1 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 2.1499999999999999 111.102 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.77 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.999 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -68.41 -31.8 71.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 2.1299999999999999 110.967 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -43.33 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 3.5 111.213 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -55.52 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 1.4399999999999999 111.343 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -48.85 -43.59 38.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 3.0099999999999998 110.598 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.763 -0.653 . . . . 1.96 110.078 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 1.9399999999999999 110.692 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -79.74 -43.35 22.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 2.79 110.083 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -60.16 -34.84 74.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.662 -0.699 . . . . 2.79 110.765 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.7 pt -72.49 -43.5 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 1.7 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.14 -34.56 10.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.382 0.611 . . . . 1.51 109.852 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.99 -49.27 62.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 1.4399999999999999 109.651 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' B' ' 17' ' ' ILE . 40.0 mt -59.82 -48.18 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.772 -0.649 . . . . 1.22 110.43 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.69 -32.77 8.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.338 -0.392 . . . . 1.3200000000000001 111.088 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -75.19 -28.14 59.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.4199999999999999 110.319 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.0 mm-40 -85.22 -35.61 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 2.0299999999999998 110.903 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.0 mt -62.96 -32.95 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.778 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.49 -38.06 30.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 1.2 111.132 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -53.52 -42.9 67.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 1.5800000000000001 110.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 12.2 mt -70.02 -50.27 43.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.26 110.9 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.89 -41.46 58.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 111.172 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -34.61 78.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.1899999999999999 111.159 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -68.71 -35.57 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.113 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -72.03 -40.67 68.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 2.79 111.125 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.96 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 1.3400000000000001 111.403 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.407 ' CZ ' ' CD2' ' B' ' 27' ' ' LEU . 1.3 ptm180 -50.43 -42.57 54.15 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.898 0.38 . . . . 3.3999999999999999 110.613 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -63.82 -36.03 82.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 2.0299999999999998 110.01 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.0 t -65.16 -45.38 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 1.3700000000000001 110.4 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.09 -33.41 26.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 2.54 109.969 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.47 -32.11 67.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 2.7599999999999998 110.359 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 50.0 p-80 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.8700000000000001 111.017 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.838 0.351 . . . . 2.1499999999999999 111.041 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.21 -35.68 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 2.7799999999999998 110.538 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -57.93 -40.87 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 2.8799999999999999 110.807 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 15.3 pt -69.61 -43.18 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 1.5600000000000001 111.167 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -34.98 5.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.399 0.619 . . . . 1.48 109.998 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.9 -50.09 58.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.331 -0.849 . . . . 1.4099999999999999 109.643 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.7 mt -58.81 -47.75 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 1.1599999999999999 110.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.64 -32.96 9.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.353 -0.385 . . . . 1.29 110.966 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.0 -28.09 60.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.3500000000000001 110.361 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -85.77 -34.25 21.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 2.0699999999999998 110.96 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.9 mt -64.4 -32.35 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 1.54 110.635 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -37.0 28.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 1.24 111.149 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.79 -43.41 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.8 mt -70.66 -50.79 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.23 110.954 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -52.4 -32.18 37.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 2.1499999999999999 111.109 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.93 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 1.28 111.002 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -71.37 -32.44 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 2.1299999999999999 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -72.03 -40.61 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 3.5 111.037 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -57.69 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 1.4399999999999999 111.321 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.38 -37.94 18.13 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.044 0.449 . . . . 3.0099999999999998 110.601 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 1.96 109.708 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.874 0.368 . . . . 1.9399999999999999 110.757 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -40.04 24.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.164 0.507 . . . . 2.79 110.075 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -35.05 75.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 2.79 110.72 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.2 pt -71.79 -43.74 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 1.7 111.225 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.66 -35.02 12.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.447 0.641 . . . . 1.51 109.795 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -46.57 73.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.315 -0.857 . . . . 1.4399999999999999 109.49 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 34.2 mt -61.42 -47.46 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.582 -0.736 . . . . 1.22 110.298 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.6 t0 -48.11 -32.67 7.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.417 . . . . 1.3200000000000001 111.106 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.22 -29.04 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 1.4199999999999999 110.43 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 2.9 mm-40 -84.59 -32.97 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 110.893 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.9 mt -65.23 -34.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.663 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.25 -36.06 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 1.2 111.309 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -47.83 72.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 1.5800000000000001 110.787 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.4 mt -63.73 -51.31 65.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.856 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -49.33 -30.38 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 2.3599999999999999 111.126 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.82 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 1.1899999999999999 111.015 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -66.94 -31.52 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.011 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -44.76 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 2.79 111.097 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -54.05 45.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 1.3400000000000001 111.234 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -43.67 53.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 3.3999999999999999 110.512 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.11 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 2.0299999999999998 110.081 179.114 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.99 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.173 -0.467 . . . . 1.3700000000000001 110.425 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.93 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.995 -0.548 . . . . 2.54 109.887 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -71.45 -29.86 65.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.584 -0.735 . . . . 2.7599999999999998 110.403 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 52.8 p-80 . . . . . 0 CA--C 1.529 0.137 0 CA-C-N 116.291 -0.413 . . . . 3.8700000000000001 111.004 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.33 . . . . 2.1499999999999999 110.756 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -80.91 -40.83 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 2.7799999999999998 110.139 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -36.01 79.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.767 -0.651 . . . . 2.8799999999999999 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -70.59 -42.8 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 1.5600000000000001 110.997 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -34.33 24.91 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.339 0.59 . . . . 1.48 109.811 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -67.07 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.354 -0.839 . . . . 1.4099999999999999 109.304 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 27.2 mt -61.11 -46.37 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.508 -0.769 . . . . 1.1599999999999999 110.134 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -48.94 -32.57 9.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.888 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.58 -28.34 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 1.3500000000000001 110.35 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.01 -34.2 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 2.0699999999999998 110.965 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.4 mt -64.49 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.727 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.94 33.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 1.24 111.17 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.93 -42.9 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.79 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 8.0 mt -70.92 -49.87 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.23 110.932 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -38.27 52.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 2.1499999999999999 111.217 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.88 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 1.28 111.08 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.47 76.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 2.1299999999999999 110.99 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -73.28 -43.32 61.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 3.5 111.194 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -55.44 23.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.4399999999999999 111.218 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -43.29 39.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 3.0099999999999998 110.42 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.744 -0.662 . . . . 1.96 110.019 179.072 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 1.9399999999999999 110.769 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -42.67 32.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.469 . . . . 2.79 110.243 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -39.48 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.714 -0.675 . . . . 2.79 110.667 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 pt -69.32 -42.84 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.7 111.065 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -48.86 -34.83 13.34 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.451 0.643 . . . . 1.51 109.875 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -67.02 -46.43 74.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.275 -0.875 . . . . 1.4399999999999999 109.431 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.486 ' O ' HG13 ' B' ' 17' ' ' ILE . 33.1 mt -61.17 -47.04 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 1.22 110.346 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.4 t0 -48.3 -32.98 8.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 1.3200000000000001 110.995 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.01 -28.79 57.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 1.4199999999999999 110.446 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -84.32 -33.38 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 2.0299999999999998 110.817 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.6 mt -64.75 -34.07 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 1.6000000000000001 110.671 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.69 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 1.2 111.311 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -45.37 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 1.5800000000000001 110.97 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.6 mt -67.38 -50.85 58.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 1.26 110.938 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -50.52 -36.41 34.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 2.3599999999999999 111.157 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.45 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 1.1899999999999999 110.863 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -35.58 77.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 1.98 110.93 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.474 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -69.4 -43.14 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 2.79 111.141 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -56.16 18.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 1.3400000000000001 111.307 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 7.0 ptp180 -49.64 -40.12 38.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.032 0.444 . . . . 3.3999999999999999 110.516 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 1.0 OUTLIER -65.6 -38.76 90.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.006 -0.543 . . . . 2.0299999999999998 109.798 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.48 -45.64 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.065 -0.516 . . . . 1.3700000000000001 110.128 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -30.02 22.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 2.54 109.702 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.59 63.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.669 -0.696 . . . . 2.7599999999999998 110.505 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 34.5 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-N 116.326 -0.397 . . . . 3.8700000000000001 110.974 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 2.1499999999999999 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.92 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 2.7799999999999998 110.573 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -59.34 -41.09 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 2.8799999999999999 110.97 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -69.24 -43.45 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 1.5600000000000001 111.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.99 -34.69 9.7 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.307 0.575 . . . . 1.48 109.978 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.41 -48.48 67.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 1.4099999999999999 109.52 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.4 mt -60.15 -48.51 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.62 -0.718 . . . . 1.1599999999999999 110.365 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -48.0 -32.05 6.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.295 -0.411 . . . . 1.29 111.16 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -29.01 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.3500000000000001 110.391 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.43 -35.49 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 2.0699999999999998 110.916 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.6 mt -63.52 -34.02 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 1.54 110.711 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.23 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.67 -0.695 . . . . 1.24 111.348 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.02 -50.09 69.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 1.79 110.688 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.2 mt -61.55 -50.87 70.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 1.23 110.876 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.85 8.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 2.1499999999999999 110.928 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -32.13 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.28 110.695 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -66.0 -35.98 82.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 2.1299999999999999 110.776 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 1.5 mtp180 -73.13 -46.19 52.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 3.5 111.31 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -53.0 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 1.4399999999999999 111.217 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.7 ptp180 -52.39 -44.58 65.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 3.0099999999999998 110.514 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 1.96 110.375 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.731 0.301 . . . . 1.9399999999999999 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.21 -39.44 54.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.092 0.472 . . . . 2.79 110.375 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -61.51 -38.0 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.836 -0.62 . . . . 2.79 110.887 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.414 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 20.0 pt -71.64 -43.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.7 111.227 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.406 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.56 -34.25 17.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.336 0.589 . . . . 1.51 109.914 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -48.74 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 1.4399999999999999 109.527 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.464 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.4 mt -59.63 -47.84 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.548 -0.751 . . . . 1.22 110.407 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.6 -32.19 7.77 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.3200000000000001 110.977 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -28.77 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 1.4199999999999999 110.313 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.08 -36.07 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 2.0299999999999998 111.077 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.5 mt -62.87 -33.11 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 1.6000000000000001 110.765 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 -36.79 32.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 1.2 111.213 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.92 -44.74 70.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.817 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.1 mt -68.71 -49.92 54.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 1.26 110.764 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -50.73 -34.01 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 2.3599999999999999 111.034 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.48 -35.11 70.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.1899999999999999 110.861 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -68.03 -35.33 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.98 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -42.76 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 2.79 111.018 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -53.09 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.3400000000000001 111.212 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -50.19 -43.8 52.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.06 0.457 . . . . 3.3999999999999999 110.606 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -63.17 -35.55 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 2.0299999999999998 110.103 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.51 -44.31 94.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 1.3700000000000001 110.227 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -30.98 33.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.927 -0.579 . . . . 2.54 109.853 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -74.13 -30.68 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.672 -0.694 . . . . 2.7599999999999998 110.303 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.439 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 54.7 p-80 . . . . . 0 C--O 1.232 0.167 0 CA-C-N 116.235 -0.439 . . . . 3.8700000000000001 111.039 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.904 0.383 . . . . 2.1499999999999999 110.788 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.32 -39.46 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 2.7799999999999998 110.202 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -61.83 -36.59 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.635 -0.711 . . . . 2.8799999999999999 110.734 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.6 pt -71.04 -43.5 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 1.5600000000000001 111.102 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.44 -34.14 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.367 0.603 . . . . 1.48 109.827 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.62 -46.62 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.333 -0.849 . . . . 1.4099999999999999 109.481 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.7 mt -61.56 -48.15 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 1.1599999999999999 110.381 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 3.4 t0 -48.22 -32.22 6.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.421 . . . . 1.29 111.011 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -29.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 1.3500000000000001 110.396 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 mm-40 -84.57 -33.59 23.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 2.0699999999999998 110.966 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.6 mt -64.83 -34.44 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.54 110.65 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.03 -36.55 40.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.755 -0.657 . . . . 1.24 111.27 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -45.2 71.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.86 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.5 mt -67.41 -50.56 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 1.23 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -52.57 -30.96 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 2.1499999999999999 111.141 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -33.4 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 1.28 111.055 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.47 -32.21 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 2.1299999999999999 111.076 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -70.7 -45.14 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 3.5 111.039 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -54.54 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 1.4399999999999999 111.115 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.7 ptm180 -50.92 -43.17 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 3.0099999999999998 110.464 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.7 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 1.96 110.019 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.731 0.3 . . . . 1.9399999999999999 111.063 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.06 -35.42 42.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 2.79 110.404 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -38.12 87.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 2.79 110.757 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.414 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.3 pt -70.96 -43.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.14 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 26.5 t0 -49.97 -34.46 20.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.356 0.598 . . . . 1.51 109.922 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.03 -47.58 70.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.421 -0.809 . . . . 1.4399999999999999 109.311 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' B' ' 17' ' ' ILE . 18.4 mt -60.12 -46.73 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.411 -0.813 . . . . 1.22 110.216 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -48.57 -32.57 8.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.34 -0.391 . . . . 1.3200000000000001 110.892 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -28.64 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 1.4199999999999999 110.359 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.921 -0.581 . . . . 2.0299999999999998 111.02 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.5 mt -64.57 -33.75 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 1.6000000000000001 110.713 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.78 -36.82 36.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 1.2 111.232 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.25 -44.97 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 1.5800000000000001 110.871 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 6.0 mt -67.74 -51.18 52.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 1.26 110.901 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -50.22 -31.76 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 2.3599999999999999 111.154 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.92 -36.73 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.1899999999999999 111.021 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -68.47 -31.14 70.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 1.98 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -42.66 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 2.79 110.929 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -56.45 12.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.3400000000000001 111.268 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -40.28 26.77 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.976 0.417 . . . . 3.3999999999999999 110.468 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.403 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 18.9 mt -64.69 -39.23 93.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 2.0299999999999998 109.84 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.41 -45.23 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.964 -0.562 . . . . 1.3700000000000001 110.171 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -52.32 -31.3 32.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 2.54 109.731 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 2.7599999999999998 110.168 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 28.4 p-80 . . . . . 0 C--O 1.232 0.157 0 CA-C-N 116.306 -0.406 . . . . 3.8700000000000001 111.001 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.993 0.425 . . . . 2.1499999999999999 110.658 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.85 26.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 2.7799999999999998 110.089 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -35.13 77.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.638 -0.71 . . . . 2.8799999999999999 110.737 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 21.0 pt -71.55 -43.79 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 1.5600000000000001 111.198 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 3.3 t0 -50.0 -34.8 22.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.39 0.614 . . . . 1.48 109.776 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -46.39 75.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.302 -0.863 . . . . 1.4099999999999999 109.497 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 17' ' ' ILE . 27.3 mt -61.31 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.539 -0.755 . . . . 1.1599999999999999 110.313 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -48.17 -32.51 7.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 1.29 111.027 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.99 -29.08 58.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 1.3500000000000001 110.39 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -84.5 -34.05 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 2.0699999999999998 110.935 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.9 mt -64.18 -34.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.54 110.663 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.85 45.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 1.24 111.235 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.34 -47.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 1.79 110.862 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.6 mt -63.74 -53.11 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 1.23 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.92 -31.09 4.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 2.1499999999999999 111.213 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.91 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.28 111.074 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 2.1299999999999999 111.068 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -42.78 68.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 3.5 111.211 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -56.3 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.4399999999999999 111.419 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -37.13 27.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.922 0.391 . . . . 3.0099999999999998 110.759 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.8 mp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 1.96 109.845 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.817 0.342 . . . . 1.9399999999999999 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.45 -37.87 42.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 2.79 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.64 -37.92 83.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.758 -0.655 . . . . 2.79 110.787 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.4 pt -71.24 -43.38 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.7 111.209 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -48.18 -34.94 10.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.394 0.616 . . . . 1.51 109.843 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.3 -46.98 68.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.301 -0.863 . . . . 1.4399999999999999 109.576 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.1 mt -60.69 -49.03 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.699 . . . . 1.22 110.394 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -48.7 -32.17 7.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.35 -0.387 . . . . 1.3200000000000001 111.077 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -28.23 59.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 1.4199999999999999 110.377 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.0 mm-40 -85.49 -36.4 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.625 . . . . 2.0299999999999998 110.914 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.2 mt -62.52 -32.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 1.6000000000000001 110.803 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.66 -38.43 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 1.2 111.249 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.48 -43.47 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.345 -0.389 . . . . 1.5800000000000001 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 11.8 mt -69.64 -51.39 35.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 1.26 110.962 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -52.67 -33.95 49.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 2.3599999999999999 111.12 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -30.54 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 1.1899999999999999 111.006 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -71.54 -33.64 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.473 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.85 -46.55 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 2.79 111.072 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -54.26 46.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 1.3400000000000001 111.232 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.0 ptm180 -50.43 -44.87 55.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.074 0.464 . . . . 3.3999999999999999 110.392 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.2 mp -61.48 -37.43 83.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.873 -0.603 . . . . 2.0299999999999998 109.975 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 37.2 t -63.64 -45.44 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.113 -0.494 . . . . 1.3700000000000001 110.2 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -28.03 15.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 2.54 109.927 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -31.86 58.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.636 -0.711 . . . . 2.7599999999999998 110.47 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 21.1 p-80 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.911 0.386 . . . . 3.8700000000000001 111.108 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 N--CA 1.459 0.014 0 CA-C-O 120.893 0.378 . . . . 2.1499999999999999 110.767 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -77.1 -38.9 51.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 2.7799999999999998 110.213 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -63.18 -37.31 86.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.665 . . . . 2.8799999999999999 110.822 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.6 pt -71.73 -43.27 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 1.5600000000000001 111.216 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.4 t70 -50.72 -33.93 24.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.406 0.622 . . . . 1.48 109.977 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.31 -47.34 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.357 -0.838 . . . . 1.4099999999999999 109.249 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 17' ' ' ILE . 20.8 mt -60.09 -45.87 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.411 -0.813 . . . . 1.1599999999999999 110.226 178.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.271 -0.422 . . . . 1.29 111.002 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -28.29 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 1.3500000000000001 110.407 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.2 mt-10 -85.27 -34.04 22.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 2.0699999999999998 110.988 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.5 mt -64.41 -32.25 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.132 0.492 . . . . 1.54 110.812 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.51 30.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 1.24 111.187 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.18 -43.46 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.98 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CB ' HG12 ' B' ' 17' ' ' ILE . 11.9 mt -68.68 -54.66 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.23 111.056 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.78 -34.49 27.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 2.1499999999999999 111.211 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.36 61.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 1.28 111.024 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -73.17 -33.76 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 2.1299999999999999 111.212 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -68.89 -44.91 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 3.5 111.177 -179.801 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -55.43 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 1.4399999999999999 111.351 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -49.58 -43.05 45.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.019 0.437 . . . . 3.0099999999999998 110.491 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.4 mp . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.96 110.096 179.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.938 0.399 . . . . 1.9399999999999999 110.637 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -77.44 -39.61 46.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 2.79 110.07 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -62.8 -38.81 92.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 2.79 110.676 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.7 pt -70.59 -43.21 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 1.7 111.092 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -49.27 -34.85 16.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.406 0.622 . . . . 1.51 109.822 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.29 -46.19 74.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.376 -0.829 . . . . 1.4399999999999999 109.331 178.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.3 mt -60.18 -45.04 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 1.22 110.202 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 4.2 t0 -49.28 -34.15 14.63 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.263 -0.426 . . . . 1.3200000000000001 110.907 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -28.16 61.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.4199999999999999 110.325 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.9 mt-10 -84.85 -34.36 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 111.039 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.4 mt -64.24 -32.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 1.6000000000000001 110.75 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.81 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 1.2 111.274 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.2 -43.57 70.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 1.5800000000000001 110.993 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 11.2 mt -68.42 -53.07 26.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 1.26 111.064 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.18 -35.58 36.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 2.3599999999999999 111.348 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.17 64.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.403 . . . . 1.1899999999999999 111.078 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -71.62 -33.51 69.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.98 111.236 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.462 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -70.63 -43.55 68.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 2.79 111.271 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -57.6 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 1.3400000000000001 111.164 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 2.1 ptp180 -49.08 -35.87 17.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.089 0.471 . . . . 3.3999999999999999 110.621 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 4.3 mt -70.54 -39.62 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 2.0299999999999998 109.97 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.4 t -60.9 -45.71 97.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 1.3700000000000001 110.145 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.23 -34.89 59.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.636 . . . . 2.54 109.516 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -65.53 -30.49 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 2.7599999999999998 110.24 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.9 p-80 . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 116.301 -0.409 . . . . 3.8700000000000001 110.971 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.374 . . . . 2.1499999999999999 110.879 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -38.77 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 2.7799999999999998 110.186 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -59.67 -39.11 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.756 -0.656 . . . . 2.8799999999999999 110.914 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.02 -43.19 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 1.5600000000000001 111.14 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.96 -34.86 9.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.281 0.562 . . . . 1.48 109.939 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.58 -49.57 62.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.366 -0.834 . . . . 1.4099999999999999 109.644 178.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.8 mt -59.4 -47.77 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.755 -0.657 . . . . 1.1599999999999999 110.456 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.51 -32.8 8.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.089 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.1 -28.52 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 1.3500000000000001 110.405 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.1 mt-10 -85.08 -35.05 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 2.0699999999999998 110.925 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.0 mt -63.31 -33.0 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 1.54 110.682 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 -37.74 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.795 -0.639 . . . . 1.24 111.186 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -42.7 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 1.79 110.951 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.2 mt -70.68 -50.59 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.23 110.925 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -48.81 -43.59 38.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 2.1499999999999999 111.264 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.94 93.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.503 . . . . 1.28 110.868 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -35.12 74.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.002 -0.545 . . . . 2.1299999999999999 110.916 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.8 OUTLIER -73.34 -43.83 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 3.5 111.163 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -56.67 14.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 1.4399999999999999 111.247 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.69 48.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.987 0.422 . . . . 3.0099999999999998 110.488 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.5 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 1.96 109.832 178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 1.9399999999999999 110.841 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.97 -39.18 35.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.082 0.468 . . . . 2.79 110.335 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -37.92 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.79 110.725 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.3 pt -70.53 -42.79 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 1.7 111.211 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -34.68 21.02 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.405 0.622 . . . . 1.51 109.892 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.64 -46.99 73.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.305 -0.861 . . . . 1.4399999999999999 109.272 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.8 mt -60.4 -46.41 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.421 -0.809 . . . . 1.22 110.216 178.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -48.27 -33.14 8.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.298 -0.41 . . . . 1.3200000000000001 110.996 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.16 -29.15 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 1.4199999999999999 110.359 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 13' ' ' ILE . 13.4 mt-10 -84.44 -34.27 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 2.0299999999999998 111.062 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -64.36 -32.89 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 1.6000000000000001 110.768 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.43 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 1.2 111.272 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.25 -45.14 72.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.5800000000000001 110.926 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.2 mt -67.91 -50.97 53.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 1.26 110.938 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.09 -32.31 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 2.3599999999999999 111.091 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.61 66.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 1.1899999999999999 110.981 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -69.47 -35.67 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.98 111.059 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -44.72 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 2.79 111.055 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -53.51 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 1.3400000000000001 111.272 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.3 ptp180 -50.2 -42.31 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 3.3999999999999999 110.624 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -65.53 -36.29 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.954 -0.567 . . . . 2.0299999999999998 110.058 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -44.46 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 1.3700000000000001 110.113 179.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -52.03 -33.27 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 2.54 109.754 179.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -68.68 -34.13 75.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 2.7599999999999998 110.129 178.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 44.7 p-80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 3.8700000000000001 110.97 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.924 0.392 . . . . 2.1499999999999999 110.812 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.77 -41.19 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 2.7799999999999998 110.172 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.17 -34.29 76.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 2.8799999999999999 110.713 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.7 pt -72.82 -43.44 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 1.5600000000000001 111.269 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.423 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 t70 -50.39 -34.2 23.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.36 0.6 . . . . 1.48 109.863 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.3 -48.17 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.369 -0.832 . . . . 1.4099999999999999 109.448 178.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.0 mt -59.63 -46.51 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.514 -0.766 . . . . 1.1599999999999999 110.333 178.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.28 -34.26 10.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.118 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.24 -28.7 61.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.3500000000000001 110.397 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.2 mt-10 -85.07 -34.03 22.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.856 -0.611 . . . . 2.0699999999999998 111.064 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.5 mt -64.33 -32.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.069 0.461 . . . . 1.54 110.789 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -39.54 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.651 . . . . 1.24 111.363 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.75 -43.58 69.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.313 -0.403 . . . . 1.79 111.046 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CB ' HG12 ' B' ' 17' ' ' ILE . 10.7 mt -68.96 -54.21 16.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 1.23 111.142 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -52.84 -32.89 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 2.1499999999999999 111.362 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.6 -29.43 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 1.28 111.181 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.68 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 2.1299999999999999 111.23 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.4 OUTLIER -66.08 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.5 111.299 -179.665 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -56.84 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.4399999999999999 110.983 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -49.07 -39.76 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 3.0099999999999998 110.4 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.79 -0.641 . . . . 1.96 110.229 179.185 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.37 . . . . 1.9399999999999999 110.786 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -77.19 -40.26 45.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.5 . . . . 2.79 110.274 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -63.41 -36.31 83.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 2.79 110.84 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.7 pt -72.11 -43.69 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.7 111.292 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 6.7 m-20 -50.52 -34.35 24.97 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.417 0.627 . . . . 1.51 109.858 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.22 72.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.299 -0.864 . . . . 1.4399999999999999 109.334 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.488 ' O ' HG13 ' B' ' 17' ' ' ILE . 22.9 mt -60.25 -45.98 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.456 -0.793 . . . . 1.22 110.297 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -48.21 -34.12 9.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.275 -0.42 . . . . 1.3200000000000001 110.966 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.65 -28.93 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 1.4199999999999999 110.401 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -84.82 -33.13 22.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.856 -0.611 . . . . 2.0299999999999998 111.02 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.0 mt -65.15 -32.57 58.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 1.6000000000000001 110.733 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -38.29 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 1.2 111.306 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -44.18 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.5800000000000001 110.959 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 11.5 mt -67.98 -53.72 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 1.26 111.208 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.82 -34.12 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 2.3599999999999999 111.351 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.97 -29.3 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.1899999999999999 111.18 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -35.11 66.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.98 111.205 -179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.472 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.23 -47.36 68.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.372 -0.376 . . . . 2.79 111.321 -179.678 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -54.53 44.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 1.3400000000000001 111.274 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.23 -43.96 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 3.3999999999999999 110.373 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.92 -0.582 . . . . 2.0299999999999998 110.037 179.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.406 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 28.9 t -62.57 -46.39 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 120.95 0.405 . . . . 1.3700000000000001 110.306 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -51.92 -29.95 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 2.54 109.784 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -72.48 -31.56 65.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.637 -0.71 . . . . 2.7599999999999998 110.337 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 23.1 p-80 . . . . . 0 CA--C 1.53 0.199 0 CA-C-N 116.341 -0.39 . . . . 3.8700000000000001 110.979 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.827 0.346 . . . . 2.1499999999999999 110.762 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -76.23 -42.22 46.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 2.7799999999999998 110.38 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -62.57 -40.87 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 2.8799999999999999 110.796 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.0 pt -68.71 -42.63 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 1.5600000000000001 111.134 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -50.31 -34.8 24.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.391 0.615 . . . . 1.48 109.873 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.64 -46.55 78.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.265 -0.88 . . . . 1.4099999999999999 109.178 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 17' ' ' ILE . 29.9 mt -61.27 -45.59 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.259 -0.882 . . . . 1.1599999999999999 110.156 178.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -47.51 -33.08 5.91 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.992 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -30.05 57.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 1.3500000000000001 110.366 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.26 -31.38 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 2.0699999999999998 111.097 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.1 mt -66.46 -35.14 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.54 110.65 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.44 52.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 1.24 111.437 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.92 -45.19 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.953 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 4.8 mt -66.53 -51.13 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 1.23 111.023 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -50.78 -34.21 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 2.1499999999999999 111.094 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.18 74.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 1.28 110.958 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.64 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 2.1299999999999999 111.084 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -68.78 -44.16 74.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 3.5 111.319 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -55.48 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.4399999999999999 111.377 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 2.3 ptt85 -49.57 -42.75 45.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.036 0.446 . . . . 3.0099999999999998 110.565 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.933 -0.576 . . . . 1.96 110.089 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.931 0.396 . . . . 1.9399999999999999 110.562 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -76.72 -40.81 47.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 2.79 110.106 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -61.87 -43.29 99.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.74 -0.664 . . . . 2.79 110.623 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 15.5 pt -67.01 -42.58 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.7 111.007 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.02 -34.88 14.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.34 0.59 . . . . 1.51 109.867 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.38 -46.75 75.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.389 -0.823 . . . . 1.4399999999999999 109.231 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.2 mt -60.3 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.424 -0.807 . . . . 1.22 109.947 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.11 -32.38 9.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 1.3200000000000001 110.909 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -75.57 -28.45 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.4199999999999999 110.295 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 20.0 mt-10 -85.37 -33.8 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 2.0299999999999998 111.044 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.1 mt -65.12 -32.63 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.6000000000000001 110.698 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.85 -36.63 31.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 1.2 111.187 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.74 -44.45 69.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 1.5800000000000001 110.81 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.8 mt -69.86 -50.13 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 1.26 110.899 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -55.33 -33.55 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 2.3599999999999999 111.149 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.44 71.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 1.1899999999999999 111.125 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -70.67 -32.67 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.98 111.027 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.17 -45.75 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 2.79 111.132 -179.855 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -56.01 22.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.3400000000000001 111.241 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -49.26 -43.0 42.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 3.3999999999999999 110.288 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 2.8 mt -62.55 -39.32 93.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.795 -0.639 . . . . 2.0299999999999998 109.921 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.408 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 25.0 t -63.85 -44.29 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.14 -0.482 . . . . 1.3700000000000001 110.152 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -52.1 -28.41 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 2.54 109.978 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -77.35 -30.83 54.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.678 -0.692 . . . . 2.7599999999999998 110.54 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 29.9 p-80 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.891 0.376 . . . . 3.8700000000000001 111.068 179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.857 0.36 . . . . 2.1499999999999999 111.099 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -78.64 -38.53 39.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 2.7799999999999998 110.369 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -40.07 89.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.897 -0.592 . . . . 2.8799999999999999 110.78 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -68.44 -43.03 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.5600000000000001 111.177 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.17 -34.53 14.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.344 0.592 . . . . 1.48 109.868 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -66.62 -47.54 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.407 -0.815 . . . . 1.4099999999999999 109.283 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.0 mt -59.76 -46.12 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.403 -0.817 . . . . 1.1599999999999999 110.093 178.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.13 -31.89 9.01 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.222 -0.444 . . . . 1.29 110.908 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 1.3500000000000001 110.287 179.461 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.9 mt-10 -85.04 -34.04 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.795 -0.639 . . . . 2.0699999999999998 111.031 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -65.12 -32.54 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 1.54 110.719 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.01 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.573 . . . . 1.24 111.235 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -53.36 -44.21 68.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.79 110.866 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.5 mt -69.97 -49.57 50.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.23 110.798 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.3 -34.96 62.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 2.1499999999999999 111.025 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.88 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 1.28 111.014 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -69.14 -32.97 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 2.1299999999999999 110.952 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -70.07 -46.19 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 3.5 111.073 -179.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.83 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.4399999999999999 111.041 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -49.32 -42.87 42.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 3.0099999999999998 110.357 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 2.5 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.69 -0.687 . . . . 1.96 110.115 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.033 0.444 . . . . 1.9399999999999999 110.766 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -76.98 -42.17 40.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.982 -0.554 . . . . 2.79 110.336 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -38.54 89.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 2.79 110.825 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.405 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.9 pt -69.82 -43.24 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 1.7 111.195 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.13 -34.71 23.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.377 0.608 . . . . 1.51 109.871 179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -46.66 76.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.322 -0.854 . . . . 1.4399999999999999 109.239 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.499 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.0 mt -61.02 -46.05 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.468 -0.787 . . . . 1.22 110.168 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.8 t0 -48.06 -32.58 6.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.18 -0.464 . . . . 1.3200000000000001 111.008 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.24 -29.43 57.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 1.4199999999999999 110.352 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 13' ' ' ILE . 13.7 mm-40 -84.53 -32.25 24.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 2.0299999999999998 111.054 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -65.86 -34.61 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.6000000000000001 110.674 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.08 -37.6 46.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 1.2 111.297 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.41 -43.64 68.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 1.5800000000000001 110.996 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.2 mt -68.55 -50.07 54.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 1.26 110.826 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.9 -41.53 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 2.3599999999999999 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.85 98.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 1.1899999999999999 110.71 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.33 -34.76 70.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 1.98 110.971 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.473 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -73.47 -45.6 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 2.79 111.185 -179.867 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -55.25 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 1.3400000000000001 111.246 -179.533 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -43.17 55.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.426 . . . . 3.3999999999999999 110.433 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.432 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 0.5 OUTLIER -62.51 -37.65 86.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 2.0299999999999998 109.807 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.77 -44.58 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.113 -0.494 . . . . 1.3700000000000001 110.126 179.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -30.0 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 2.54 109.868 179.131 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -31.62 60.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.635 -0.711 . . . . 2.7599999999999998 110.47 179.235 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 44.6 p-80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 3.8700000000000001 110.97 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.811 0.339 . . . . 2.1499999999999999 110.999 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -78.5 -44.43 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.152 0.501 . . . . 2.7799999999999998 110.364 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -39.84 87.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.699 -0.682 . . . . 2.8799999999999999 110.787 179.77 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 13.2 pt -68.99 -42.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 1.5600000000000001 111.147 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.36 -36.04 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.424 0.631 . . . . 1.48 109.698 179.553 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.81 -44.23 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.28 -0.873 . . . . 1.4099999999999999 109.168 178.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 17' ' ' ILE . 10.4 mt -61.63 -48.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.401 -0.818 . . . . 1.1599999999999999 110.268 178.879 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -47.76 -31.55 4.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.268 -0.424 . . . . 1.29 111.123 179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -76.91 -28.88 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.3500000000000001 110.462 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' ILE . 7.4 mm-40 -85.48 -35.58 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 2.0699999999999998 111.027 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' ILE . 8.7 mt -63.8 -34.02 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 1.54 110.618 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -36.66 37.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 1.24 111.2 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -42.71 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.79 110.988 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' B' ' 20' ' ' LEU . 9.2 mt -71.06 -50.32 35.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 1.23 110.876 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.33 -40.26 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 2.1499999999999999 110.971 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.96 73.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 1.28 110.861 179.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -71.83 -33.11 68.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 2.1299999999999999 110.8 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HG2' ' HB ' ' B' ' 10' ' ' ILE . 19.5 ttt180 -74.49 -43.18 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 3.5 111.018 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -53.94 51.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 1.4399999999999999 110.825 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -50.16 -43.56 52.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 3.0099999999999998 110.174 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 11.8 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 1.96 109.894 179.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.895 0.379 . . . . 1.9399999999999999 110.735 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -76.49 -42.6 42.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.79 110.226 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.09 -40.72 96.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.702 -0.681 . . . . 2.79 110.798 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.418 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.1 pt -68.94 -42.84 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.364 -0.38 . . . . 1.7 111.146 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -48.99 -35.64 15.74 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.421 0.629 . . . . 1.51 109.732 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.41 -43.86 84.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 1.4399999999999999 109.192 178.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' B' ' 17' ' ' ILE . 13.1 mt -62.0 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 1.22 110.243 178.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.5 -31.73 4.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.182 -0.463 . . . . 1.3200000000000001 111.079 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -29.94 55.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 1.4199999999999999 110.509 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 13' ' ' ILE . 11.2 mm-40 -84.49 -33.73 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.906 -0.588 . . . . 2.0299999999999998 111.107 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.8 mt -64.32 -36.46 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 1.6000000000000001 110.603 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.62 -36.56 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 1.2 111.319 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -43.71 69.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.5800000000000001 110.884 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.417 HD11 ' HG ' ' A' ' 20' ' ' LEU . 5.5 mt -68.55 -50.69 49.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.26 111.014 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -41.75 49.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.3599999999999999 111.013 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.48 93.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.1899999999999999 110.898 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -34.58 77.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.028 -0.533 . . . . 1.98 110.959 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -75.85 -43.47 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 2.79 111.194 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -54.56 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 1.3400000000000001 110.955 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.74 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 3.3999999999999999 110.374 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.402 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -62.29 -37.0 83.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 2.0299999999999998 109.966 178.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.2 -44.86 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.006 -0.543 . . . . 1.3700000000000001 110.235 179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -31.01 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 2.54 109.683 179.009 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.86 -31.91 66.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.606 -0.724 . . . . 2.7599999999999998 110.29 179.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.3 p-80 . . . . . 0 CA--C 1.529 0.155 0 CA-C-N 116.27 -0.423 . . . . 3.8700000000000001 111.038 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 2.1499999999999999 111.065 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -78.05 -36.15 48.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 2.7799999999999998 110.446 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -39.6 82.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 2.8799999999999999 110.811 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.0 pt -70.07 -42.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.5600000000000001 111.166 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -47.96 -34.68 9.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.411 0.624 . . . . 1.48 109.947 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.86 -48.88 64.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.369 -0.832 . . . . 1.4099999999999999 109.492 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 17' ' ' ILE . 38.6 mt -59.43 -47.41 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 1.1599999999999999 110.313 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.74 -33.12 9.64 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.129 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -28.39 60.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.078 0.466 . . . . 1.3500000000000001 110.351 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.0 mt-10 -85.35 -34.91 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.833 -0.621 . . . . 2.0699999999999998 110.934 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.1 mt -63.76 -32.16 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 1.54 110.705 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.87 -38.08 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 1.24 111.243 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -43.43 69.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.318 -0.401 . . . . 1.79 111.0 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CB ' HG12 ' B' ' 17' ' ' ILE . 11.9 mt -69.59 -55.15 10.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 1.23 111.041 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -51.09 -33.28 25.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 2.1499999999999999 111.211 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.081 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.83 -33.55 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 2.1299999999999999 111.177 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -68.81 -45.37 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.371 . . . . 3.5 111.114 -179.828 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -56.34 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 1.4399999999999999 111.114 -179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -49.13 -41.84 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.088 0.471 . . . . 3.0099999999999998 110.359 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 15.3 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.803 -0.635 . . . . 1.96 110.109 179.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.925 0.393 . . . . 1.9399999999999999 110.693 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -77.22 -42.17 38.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 2.79 110.226 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -61.76 -38.54 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 2.79 110.746 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.414 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 20.7 pt -70.19 -43.08 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 1.7 111.178 179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -49.74 -34.63 19.61 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 1.51 109.919 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.51 -46.15 73.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.842 . . . . 1.4399999999999999 109.288 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' B' ' 17' ' ' ILE . 16.2 mt -60.69 -44.99 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 1.22 110.166 178.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.7 t0 -49.31 -34.31 15.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 1.3200000000000001 110.936 179.485 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.19 -28.16 61.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 1.4199999999999999 110.306 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.8 mm-40 -84.81 -34.19 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 2.0299999999999998 110.94 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.0 mt -64.03 -32.57 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.6000000000000001 110.629 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -37.96 33.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 1.2 111.267 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.84 -44.33 73.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.5800000000000001 111.081 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.8 mt -68.06 -53.21 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.26 111.074 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -50.92 -30.34 14.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 2.3599999999999999 111.212 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.8 -31.49 59.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.1899999999999999 111.049 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -72.87 -32.37 65.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.012 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.08 -40.67 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 2.79 111.191 -179.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -55.44 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.3400000000000001 111.407 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 6.5 ptp85 -49.45 -41.69 40.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.971 0.415 . . . . 3.3999999999999999 110.543 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.6 mm? -63.44 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 2.0299999999999998 109.788 179.038 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.88 -45.39 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 1.3700000000000001 110.124 179.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -29.51 22.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.884 -0.598 . . . . 2.54 109.98 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -75.84 -30.1 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 2.7599999999999998 110.48 179.186 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.42 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 51.7 p-80 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 116.367 -0.379 . . . . 3.8700000000000001 111.049 179.656 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 2.1499999999999999 111.0 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -78.36 -32.95 49.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 2.7799999999999998 110.599 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -38.6 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 2.8799999999999999 110.789 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.94 -43.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 1.5600000000000001 111.19 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.01 -34.48 21.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.376 0.608 . . . . 1.48 109.929 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.96 -46.71 73.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 1.4099999999999999 109.231 178.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.0 mt -60.64 -47.15 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.487 -0.779 . . . . 1.1599999999999999 110.219 178.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.32 -32.42 7.39 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.305 -0.407 . . . . 1.29 111.062 179.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.93 -28.94 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 1.3500000000000001 110.397 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.7 mt-10 -84.66 -34.52 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 2.0699999999999998 110.972 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -63.76 -34.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 1.54 110.715 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -36.63 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.659 . . . . 1.24 111.292 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.02 -46.92 75.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 1.79 110.881 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 8.9 mt -64.89 -51.73 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 1.23 111.014 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -32.98 19.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 2.1499999999999999 111.237 -179.731 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -30.76 63.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 1.28 110.995 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -70.37 -31.18 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 2.1299999999999999 111.105 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -73.1 -48.09 38.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 3.5 111.212 -179.784 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -54.66 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 1.4399999999999999 111.266 -179.606 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -44.79 51.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 3.0099999999999998 110.412 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 1.96 110.064 179.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.898 0.38 . . . . 1.9399999999999999 110.743 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -78.32 -41.05 34.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 2.79 110.312 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.56 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.769 -0.651 . . . . 2.79 110.745 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.402 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.4 pt -69.55 -42.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.7 110.96 179.747 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.3 t0 -50.05 -34.34 21.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.393 0.616 . . . . 1.51 109.813 179.55 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.66 -46.28 76.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.342 -0.845 . . . . 1.4399999999999999 109.168 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.478 ' O ' HG13 ' B' ' 17' ' ' ILE . 29.7 mt -60.37 -45.89 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.333 -0.849 . . . . 1.22 110.122 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.84 -32.77 9.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 1.3200000000000001 110.87 179.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -28.39 59.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 1.4199999999999999 110.368 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.3 mt-10 -85.44 -34.47 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 2.0299999999999998 110.992 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.2 mt -64.12 -33.35 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 1.6000000000000001 110.655 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -36.6 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.654 . . . . 1.2 111.08 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.36 -44.19 71.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.805 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CB ' HG12 ' A' ' 17' ' ' ILE . 6.7 mt -68.89 -50.71 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 1.26 110.851 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.24 -32.11 35.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 2.3599999999999999 111.031 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -31.16 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 1.1899999999999999 110.875 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -70.04 -31.87 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 1.98 111.019 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -72.15 -45.39 60.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.369 . . . . 2.79 111.001 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -54.08 48.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.3400000000000001 111.284 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -50.71 -44.73 58.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.079 0.466 . . . . 3.3999999999999999 110.447 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.05 -36.25 81.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.869 -0.605 . . . . 2.0299999999999998 110.068 179.155 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.46 -45.62 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 116.16 -0.473 . . . . 1.3700000000000001 110.291 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -29.87 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 2.54 109.987 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.39 -30.49 60.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.664 -0.698 . . . . 2.7599999999999998 110.482 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 54.5 p-80 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 3.8700000000000001 111.085 179.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 2.1499999999999999 110.706 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -78.36 -40.64 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 2.7799999999999998 110.244 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -63.05 -36.48 83.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.762 -0.654 . . . . 2.8799999999999999 110.76 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.3 pt -71.6 -42.96 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.5600000000000001 111.12 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.2 t70 -51.11 -33.85 28.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 1.48 109.97 179.547 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.05 -46.9 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.332 -0.849 . . . . 1.4099999999999999 109.3 178.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 mt -60.63 -45.94 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.418 -0.81 . . . . 1.1599999999999999 110.167 178.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -48.45 -33.51 9.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.211 -0.45 . . . . 1.29 111.023 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.24 -28.85 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 1.3500000000000001 110.333 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.4 mm-40 -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 2.0699999999999998 111.057 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -66.06 -32.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.771 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 -37.71 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 1.24 111.281 -179.69 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.98 -44.88 71.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 1.79 110.879 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.5 mt -68.21 -52.02 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 1.23 111.025 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.64 -33.59 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 2.1499999999999999 111.291 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.13 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.28 111.13 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -34.87 75.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 2.1299999999999999 111.154 -179.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 1.0 OUTLIER -69.75 -46.06 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 3.5 111.267 -179.65 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -55.34 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 1.4399999999999999 111.253 -179.605 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -50.23 -43.68 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 3.0099999999999998 110.459 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.2 mp . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 1.96 110.114 179.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.39 . . . . 1.9399999999999999 110.704 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -76.01 -41.32 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 2.79 110.319 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -38.1 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.767 -0.651 . . . . 2.79 110.844 179.721 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.8 pt -71.08 -43.64 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 1.7 111.162 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.01 -35.0 14.34 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.388 0.613 . . . . 1.51 110.012 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.79 -48.57 68.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.406 -0.815 . . . . 1.4399999999999999 109.463 178.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.507 ' O ' HG13 ' B' ' 17' ' ' ILE . 29.4 mt -59.98 -44.59 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.471 -0.786 . . . . 1.22 110.17 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -48.6 -34.22 11.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.239 -0.437 . . . . 1.3200000000000001 110.946 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.55 -28.8 61.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 1.4199999999999999 110.305 179.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.4 mm-40 -84.95 -32.8 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 2.0299999999999998 111.07 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -65.95 -31.97 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 1.6000000000000001 110.725 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.23 -38.09 31.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 1.2 111.227 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.61 -44.12 69.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.5800000000000001 111.013 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.6 mt -69.44 -52.39 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 1.26 110.959 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.2 -32.09 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 2.3599999999999999 111.262 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.31 63.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.1899999999999999 111.13 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -72.53 -32.62 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.98 111.299 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.47 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.47 -47.17 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 2.79 111.353 -179.724 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -56.1 25.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 1.3400000000000001 111.159 -179.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.44 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.07 0.462 . . . . 3.3999999999999999 110.276 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.446 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 27.8 mt -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 2.0299999999999998 110.079 179.081 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.41 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 21.5 t -64.57 -46.64 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 121.018 0.437 . . . . 1.3700000000000001 110.393 179.313 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -50.67 -30.71 14.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 2.54 110.045 179.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.12 -33.47 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.753 -0.658 . . . . 2.7599999999999998 110.466 179.282 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 30.5 p-80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.984 0.421 . . . . 3.8700000000000001 111.128 179.519 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.808 0.337 . . . . 2.1499999999999999 111.156 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -76.92 -36.12 56.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.09 0.471 . . . . 2.7799999999999998 110.297 179.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -59.43 -42.06 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.652 . . . . 2.8799999999999999 110.76 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -68.3 -43.01 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 1.5600000000000001 111.222 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -48.15 -34.95 10.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.422 0.63 . . . . 1.48 109.962 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -46.85 71.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.855 . . . . 1.4099999999999999 109.424 178.719 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 17' ' ' ILE . 17.9 mt -59.99 -48.23 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.578 -0.737 . . . . 1.1599999999999999 110.349 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.73 -31.97 7.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.004 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.6 -28.59 58.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 1.3500000000000001 110.282 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.31 -34.99 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 2.0699999999999998 111.03 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.4 mt -64.29 -33.13 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 1.54 110.786 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -37.69 34.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 1.24 111.236 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -44.22 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 1.79 110.825 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CB ' HG12 ' B' ' 17' ' ' ILE . 7.7 mt -68.7 -50.13 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 1.23 110.914 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.52 -34.83 38.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 2.1499999999999999 111.18 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 1.28 111.003 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -66.05 -31.61 72.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 2.1299999999999999 111.002 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -74.49 -46.01 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 3.5 111.12 -179.798 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -55.59 31.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.4399999999999999 111.119 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.47 -42.67 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.091 0.472 . . . . 3.0099999999999998 110.403 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 16.9 mt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-N 115.879 -0.601 . . . . 1.96 110.112 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 1.9399999999999999 111.052 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.08 -34.87 59.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 2.79 110.399 179.731 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.55 91.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.919 -0.582 . . . . 2.79 110.811 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.8 pt -71.84 -43.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 1.7 111.238 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.5 m-20 -50.55 -34.06 24.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.341 0.591 . . . . 1.51 109.895 179.725 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.09 -47.77 70.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.433 -0.803 . . . . 1.4399999999999999 109.326 178.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.488 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.6 mt -60.27 -46.92 94.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.419 -0.809 . . . . 1.22 110.293 178.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -48.18 -32.65 7.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.343 -0.389 . . . . 1.3200000000000001 111.083 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -29.06 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.4199999999999999 110.394 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.65 -34.84 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 2.0299999999999998 111.041 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -63.65 -34.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 1.6000000000000001 110.698 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.56 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.768 -0.651 . . . . 1.2 111.36 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.8 -48.86 72.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 1.5800000000000001 110.79 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.7 mt -62.7 -51.77 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.26 110.979 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.81 -30.24 9.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.465 . . . . 2.3599999999999999 111.089 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.22 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 1.1899999999999999 110.834 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -66.96 -34.13 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 1.98 111.116 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 2.79 111.245 -179.711 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -54.27 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.362 . . . . 1.3400000000000001 111.229 -179.622 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 ptt85 -51.3 -44.42 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.3999999999999999 110.513 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.1 mp -62.54 -35.87 80.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 2.0299999999999998 110.079 179.148 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.28 -45.38 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.23 -0.441 . . . . 1.3700000000000001 110.187 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.17 -30.51 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 2.54 109.978 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.27 -29.73 60.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.734 -0.666 . . . . 2.7599999999999998 110.493 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 53.7 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-N 116.339 -0.391 . . . . 3.8700000000000001 111.043 179.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.888 0.375 . . . . 2.1499999999999999 110.698 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.42 -38.48 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 2.7799999999999998 110.206 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -37.19 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.663 . . . . 2.8799999999999999 110.672 179.798 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.6 pt -70.42 -43.48 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 1.5600000000000001 111.078 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -50.08 -34.39 21.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.382 0.61 . . . . 1.48 109.809 179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.54 -46.79 74.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.344 -0.844 . . . . 1.4099999999999999 109.368 178.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' ILE . 29.2 mt -61.33 -46.29 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.458 -0.792 . . . . 1.1599999999999999 110.125 178.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' CA ' ' HD2' ' B' ' 24' ' ' ARG . 0.9 OUTLIER -48.39 -32.21 7.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.941 179.535 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -29.24 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 1.3500000000000001 110.315 179.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.92 -32.14 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.576 . . . . 2.0699999999999998 111.044 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.9 mt -66.14 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.106 0.479 . . . . 1.54 110.673 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.01 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.711 . . . . 1.24 111.186 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -44.0 70.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 1.79 110.837 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.83 -50.62 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.23 110.83 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -34.73 34.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 2.1499999999999999 111.022 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.52 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.28 110.902 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -35.74 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 2.1299999999999999 111.039 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -67.06 -46.71 73.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 3.5 111.101 -179.899 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -54.42 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 1.4399999999999999 111.287 -179.616 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.7 ptm85 -50.53 -44.8 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.042 0.449 . . . . 3.0099999999999998 110.375 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.925 -0.58 . . . . 1.96 109.941 178.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.866 0.365 . . . . 1.9399999999999999 110.636 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -40.44 29.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 2.79 110.175 179.464 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.75 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 2.79 110.734 179.725 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.3 pt -70.99 -43.58 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 1.7 111.07 179.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 77.7 m-20 -50.52 -34.57 25.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.398 0.618 . . . . 1.51 109.805 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.23 -45.8 79.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.261 -0.881 . . . . 1.4399999999999999 109.163 178.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.485 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.5 mt -61.13 -46.32 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.401 -0.818 . . . . 1.22 110.099 178.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -48.32 -32.24 7.14 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.3200000000000001 110.955 179.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.67 -28.74 56.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 1.4199999999999999 110.488 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -84.74 -32.32 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 2.0299999999999998 110.92 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.6 mt -65.81 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 1.6000000000000001 110.626 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.78 47.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.632 -0.713 . . . . 1.2 111.454 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.86 -45.18 70.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 1.5800000000000001 110.882 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.426 HD11 ' HG ' ' A' ' 20' ' ' LEU . 4.5 mt -66.67 -51.27 58.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 1.26 110.869 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -35.41 25.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 2.3599999999999999 111.157 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.55 74.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.1899999999999999 110.993 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -65.5 -33.13 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.006 -0.543 . . . . 1.98 111.043 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.425 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.5 mtp-105 -71.39 -44.7 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 2.79 111.185 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -55.48 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 1.3400000000000001 111.052 -179.723 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -49.52 -42.09 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 3.3999999999999999 110.336 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.425 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 12.0 mt -64.51 -39.25 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.922 -0.581 . . . . 2.0299999999999998 109.976 179.118 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -61.69 -42.48 94.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 1.3700000000000001 110.226 179.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -35.0 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.877 -0.601 . . . . 2.54 109.655 179.168 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -67.9 -31.43 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.671 -0.695 . . . . 2.7599999999999998 110.298 179.04 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 26.5 p-80 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 116.304 -0.407 . . . . 3.8700000000000001 111.058 179.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 2.1499999999999999 111.03 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -78.07 -36.34 48.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 2.7799999999999998 110.69 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -40.16 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 2.8799999999999999 110.772 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -69.9 -42.84 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 1.5600000000000001 111.301 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.06 -34.03 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.307 0.575 . . . . 1.48 110.039 179.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -47.22 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.436 -0.802 . . . . 1.4099999999999999 109.276 178.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 29.1 mt -60.54 -46.8 94.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 1.1599999999999999 110.238 178.899 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -48.54 -33.04 8.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.338 -0.392 . . . . 1.29 111.006 179.588 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.7 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 1.3500000000000001 110.341 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.13 -35.04 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.605 . . . . 2.0699999999999998 111.058 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.8 mt -63.91 -32.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.54 110.802 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.84 -37.85 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 1.24 111.182 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.77 -43.35 69.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 1.79 110.893 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.7 mt -70.34 -53.32 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.23 110.899 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.54 40.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 2.1499999999999999 111.228 -179.775 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.77 64.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.28 111.096 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -74.24 -32.38 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 2.1299999999999999 111.12 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -72.5 -41.29 66.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 3.5 111.135 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -55.74 16.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.392 . . . . 1.4399999999999999 111.38 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -42.83 37.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.076 0.465 . . . . 3.0099999999999998 110.415 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.816 -0.629 . . . . 1.96 109.868 178.965 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.88 0.371 . . . . 1.9399999999999999 110.796 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.9 -43.85 24.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.204 0.526 . . . . 2.79 110.27 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -35.08 74.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.68 -0.691 . . . . 2.79 110.828 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.6 pt -71.85 -43.79 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.418 -0.356 . . . . 1.7 111.135 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.9 t70 -48.86 -34.69 13.06 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.308 0.575 . . . . 1.51 109.738 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.02 -48.24 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 1.4399999999999999 109.529 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.0 mt -60.16 -47.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 1.22 110.362 179.129 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -48.11 -33.4 8.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.934 0.397 . . . . 1.3200000000000001 111.113 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.31 -29.05 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 1.4199999999999999 110.38 179.643 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.4 mt-10 -84.5 -33.67 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 2.0299999999999998 110.98 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.6 mt -64.78 -32.92 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.758 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.12 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.771 -0.65 . . . . 1.2 111.401 -179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -45.69 72.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.5800000000000001 110.969 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.3 mt -66.52 -52.07 49.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.973 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -34.53 19.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 2.3599999999999999 111.171 -179.713 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.09 71.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 1.1899999999999999 110.996 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.98 111.121 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.475 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -74.81 -48.07 27.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 2.79 111.206 -179.761 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -53.33 59.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 1.3400000000000001 111.28 -179.574 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.73 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 3.3999999999999999 110.457 -179.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 8.9 mt -62.53 -34.95 77.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 2.0299999999999998 110.165 179.243 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 t -65.43 -45.77 92.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 1.3700000000000001 110.298 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -51.14 -31.29 19.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.875 -0.602 . . . . 2.54 109.958 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 2.7599999999999998 110.432 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 48.5 p-80 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 3.8700000000000001 111.069 179.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 2.1499999999999999 110.907 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -78.34 -42.0 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 2.7799999999999998 110.413 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -61.37 -37.12 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 2.8799999999999999 110.887 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.68 -43.42 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 1.5600000000000001 111.16 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 27.5 t0 -50.12 -34.49 22.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.937 179.682 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.59 -47.72 71.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.409 -0.814 . . . . 1.4099999999999999 109.335 178.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' ILE . 22.2 mt -60.63 -46.84 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.4 -0.818 . . . . 1.1599999999999999 110.253 178.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.18 -32.28 6.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.307 -0.406 . . . . 1.29 111.074 179.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -29.27 58.01 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.152 -0.476 . . . . 1.3500000000000001 110.429 179.541 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.41 -34.07 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 2.0699999999999998 111.077 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -64.66 -34.58 70.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 1.54 110.797 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.45 -37.52 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.24 111.399 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 1.79 110.815 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.414 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.2 mt -66.53 -50.68 62.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 1.23 111.001 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.92 -36.11 26.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 2.1499999999999999 111.179 -179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.49 79.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 1.28 110.936 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -34.76 78.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 2.1299999999999999 111.008 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -71.67 -46.63 58.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 3.5 111.206 -179.649 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -55.54 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.4399999999999999 111.315 -179.521 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -44.43 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 3.0099999999999998 110.425 -179.774 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 1.96 109.957 179.085 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.905 0.383 . . . . 1.9399999999999999 110.849 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -79.0 -43.24 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 2.79 110.246 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -37.08 79.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.681 -0.69 . . . . 2.79 110.791 179.701 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.0 pt -69.88 -43.41 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.183 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.87 -35.07 13.91 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.394 0.616 . . . . 1.51 109.791 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.48 -47.93 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.366 -0.834 . . . . 1.4399999999999999 109.437 178.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.4 mt -60.1 -46.5 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 1.22 110.306 178.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.59 -32.2 7.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.261 -0.427 . . . . 1.3200000000000001 110.944 179.513 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.73 -28.86 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 1.4199999999999999 110.358 179.437 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mt-10 -85.08 -34.09 22.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 2.0299999999999998 111.08 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.1 mt -64.81 -33.87 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 1.6000000000000001 110.678 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -36.06 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.781 -0.645 . . . . 1.2 111.198 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.21 -46.1 72.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 1.5800000000000001 110.756 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.1 mt -67.04 -49.76 64.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 1.26 110.726 179.755 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.71 -34.25 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 2.3599999999999999 111.011 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.58 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.1899999999999999 110.997 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -65.83 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.98 110.901 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.465 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -71.27 -44.72 64.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 2.79 111.057 -179.893 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.81 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.3400000000000001 111.022 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.8 ptp180 -49.93 -42.63 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 3.3999999999999999 110.239 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 7.5 mt -63.44 -38.81 92.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.827 -0.624 . . . . 2.0299999999999998 109.976 179.081 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 t -63.33 -45.54 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.193 -0.458 . . . . 1.3700000000000001 110.159 179.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -51.83 -28.99 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 2.54 109.892 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.76 61.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.68 . . . . 2.7599999999999998 110.399 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 31.8 p-80 . . . . . 0 CA--C 1.529 0.163 0 CA-C-N 116.286 -0.416 . . . . 3.8700000000000001 111.002 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.849 0.357 . . . . 2.1499999999999999 111.085 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -80.56 -39.18 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 2.7799999999999998 110.231 179.512 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.98 -35.53 77.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 2.8799999999999999 110.709 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.581 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 25.8 pt -70.89 -44.18 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 1.5600000000000001 111.223 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -49.84 -33.8 17.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.418 0.627 . . . . 1.48 109.868 179.541 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -44.97 74.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.858 . . . . 1.4099999999999999 109.481 178.828 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 17' ' ' ILE . 21.5 mt -61.96 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 1.1599999999999999 110.414 179.086 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 10.0 t70 -48.03 -32.27 6.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.381 -0.372 . . . . 1.29 111.107 179.663 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.44 -28.39 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.3500000000000001 110.253 179.474 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm-40 -85.19 -36.71 20.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 2.0699999999999998 110.937 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.9 mt -60.79 -34.96 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.194 0.521 . . . . 1.54 110.528 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.4 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 1.24 111.217 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.44 73.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.79 110.808 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' CB ' HG12 ' B' ' 17' ' ' ILE . 8.4 mt -67.11 -50.9 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 1.23 110.863 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -50.53 -31.25 15.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 2.1499999999999999 110.969 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.67 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 1.28 110.786 179.743 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -68.96 -35.75 77.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.1299999999999999 110.856 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -43.17 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 3.5 110.976 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -54.55 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 1.4399999999999999 111.31 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -49.13 -43.91 42.02 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.011 0.434 . . . . 3.0099999999999998 110.473 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.624 . . . . 1.96 109.896 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.907 0.384 . . . . 1.9399999999999999 110.688 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -79.06 -43.39 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 2.79 110.125 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.32 -36.36 77.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.715 . . . . 2.79 110.808 179.682 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 pt -70.9 -43.61 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.359 -0.382 . . . . 1.7 111.068 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.35 -34.7 11.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.313 0.578 . . . . 1.51 109.817 179.574 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.7 -47.35 69.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.274 -0.875 . . . . 1.4399999999999999 109.619 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' B' ' 17' ' ' ILE . 32.6 mt -60.83 -48.07 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 1.22 110.343 179.124 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.8 t0 -48.61 -32.33 8.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 1.3200000000000001 110.962 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -28.7 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 1.4199999999999999 110.324 179.567 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.25 -34.49 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.826 -0.624 . . . . 2.0299999999999998 110.836 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 13' ' ' ILE . 13.7 mt -63.23 -35.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.619 179.765 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.76 -34.93 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.635 -0.712 . . . . 1.2 111.159 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -44.61 73.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.5800000000000001 110.936 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.2 mt -68.2 -50.73 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 1.26 110.852 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.3 16.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 2.3599999999999999 111.163 -179.869 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.7 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 1.1899999999999999 111.001 179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 1.98 110.931 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.581 ' CD ' ' HB ' ' A' ' 10' ' ' ILE . 1.8 tpt85 -64.8 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 2.79 111.125 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -59.11 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 1.3400000000000001 111.451 -179.721 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -47.57 -33.54 6.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.924 0.392 . . . . 3.3999999999999999 110.563 -179.754 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 10.1 mt -70.04 -40.99 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 2.0299999999999998 109.773 178.843 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.83 -50.69 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.882 -0.599 . . . . 1.3700000000000001 110.266 179.081 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.5 -30.01 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 2.54 109.877 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.04 -29.97 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 2.7599999999999998 110.308 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 56.3 p-80 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 3.8700000000000001 110.993 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.843 0.354 . . . . 2.1499999999999999 111.062 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -35.77 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.987 0.422 . . . . 2.7799999999999998 110.518 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.15 -41.05 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 2.8799999999999999 110.816 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.7 pt -70.35 -42.76 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.5600000000000001 111.19 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -34.37 12.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.394 0.616 . . . . 1.48 110.027 179.549 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.81 -47.96 67.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.852 . . . . 1.4099999999999999 109.444 178.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 17' ' ' ILE . 18.6 mt -59.24 -48.14 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.537 -0.756 . . . . 1.1599999999999999 110.346 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.88 -32.42 8.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.283 -0.417 . . . . 1.29 111.016 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.83 -28.33 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 1.3500000000000001 110.35 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.7 mt-10 -85.52 -36.18 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.592 . . . . 2.0699999999999998 111.056 -179.853 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.2 mt -63.11 -32.29 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 1.54 110.795 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.2 -38.32 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 1.24 111.237 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -43.55 68.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 1.79 110.923 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.9 mt -69.42 -51.3 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.911 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -36.32 43.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 2.1499999999999999 111.102 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.33 -31.73 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 1.28 110.868 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.26 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.1299999999999999 111.025 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.419 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.9 OUTLIER -69.26 -45.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 3.5 111.184 -179.828 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -56.61 14.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 1.4399999999999999 111.238 -179.677 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -43.48 44.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.116 0.484 . . . . 3.0099999999999998 110.336 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 1.96 110.021 179.075 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.861 0.362 . . . . 1.9399999999999999 110.757 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -80.85 -41.61 22.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 2.79 110.169 179.427 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -34.81 76.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 2.79 110.692 179.656 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.6 pt -71.02 -43.84 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 1.7 111.2 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.89 -35.04 22.08 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.372 0.606 . . . . 1.51 109.697 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -45.69 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.203 -0.908 . . . . 1.4399999999999999 109.129 178.679 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 27.0 mt -61.31 -46.47 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.22 110.141 178.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -48.0 -32.49 6.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.32 -0.4 . . . . 1.3200000000000001 111.0 179.588 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -29.5 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.4199999999999999 110.37 179.582 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.9 mt-10 -84.11 -33.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 2.0299999999999998 111.033 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -65.28 -34.82 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 1.6000000000000001 110.79 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.12 48.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.644 -0.707 . . . . 1.2 111.256 -179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -48.69 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 1.5800000000000001 110.781 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.2 mt -62.6 -51.75 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 1.26 110.918 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -48.81 -30.74 6.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 2.3599999999999999 111.029 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.83 -33.09 63.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.1899999999999999 110.777 179.624 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -66.42 -33.58 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.517 . . . . 1.98 111.005 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.2 mtp180 -73.13 -46.67 49.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 2.79 111.236 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -52.41 65.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.3400000000000001 111.249 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -51.8 -46.35 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 3.3999999999999999 110.457 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 6.4 mp -63.08 -35.69 81.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 2.0299999999999998 110.188 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.6 -46.56 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.961 0.41 . . . . 1.3700000000000001 110.234 179.451 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -51.95 -31.58 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 2.54 109.85 179.14 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -30.11 64.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.629 -0.714 . . . . 2.7599999999999998 110.485 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 35.9 p-80 . . . . . 0 CA--C 1.529 0.158 0 CA-C-N 116.317 -0.401 . . . . 3.8700000000000001 111.125 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.906 0.384 . . . . 2.1499999999999999 111.19 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.1 -31.72 56.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 2.7799999999999998 110.594 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -40.41 93.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.555 . . . . 2.8799999999999999 110.797 179.833 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 17.4 pt -70.16 -43.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.5600000000000001 111.252 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.31 -34.44 15.6 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.412 0.625 . . . . 1.48 110.041 179.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -46.03 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.329 -0.85 . . . . 1.4099999999999999 109.387 178.853 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 17' ' ' ILE . 12.8 mt -60.77 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.556 -0.747 . . . . 1.1599999999999999 110.327 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -48.54 -32.13 7.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 1.29 110.992 179.615 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -28.46 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.3500000000000001 110.358 179.619 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' ILE . 7.4 mm-40 -85.54 -35.42 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 2.0699999999999998 111.002 -179.714 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -63.28 -33.98 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 1.54 110.628 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.82 34.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 1.24 111.195 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -45.14 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 1.79 110.845 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.3 mt -67.16 -51.18 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 1.23 110.807 179.843 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -49.7 -34.8 19.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 2.1499999999999999 111.067 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.09 64.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.28 110.836 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -68.61 -31.2 70.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 2.1299999999999999 111.007 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -72.63 -41.96 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 3.5 111.107 -179.83 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -56.6 11.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.4399999999999999 111.453 -179.593 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.12 -40.63 33.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.926 0.393 . . . . 3.0099999999999998 110.467 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 1.96 109.681 178.703 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.859 0.361 . . . . 1.9399999999999999 111.025 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.29 -37.37 37.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 2.79 110.3 179.435 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -62.46 -37.52 86.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.635 . . . . 2.79 110.647 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.3 pt -70.94 -43.35 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.7 111.113 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -34.69 19.69 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.45 0.643 . . . . 1.51 109.804 179.51 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.83 -45.71 77.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.271 -0.877 . . . . 1.4399999999999999 109.198 178.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.474 ' O ' HG13 ' B' ' 17' ' ' ILE . 21.9 mt -60.71 -47.45 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.478 -0.783 . . . . 1.22 110.2 178.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.57 -31.72 6.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.246 -0.434 . . . . 1.3200000000000001 110.986 179.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -28.86 56.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.4199999999999999 110.346 179.562 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.7 mt-10 -84.77 -34.19 22.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 2.0299999999999998 111.017 -179.844 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.5 mt -64.41 -35.3 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 1.6000000000000001 110.703 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.58 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 1.2 111.234 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.8 -48.41 72.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.5800000000000001 110.728 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.9 mt -62.95 -51.44 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 1.26 110.844 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.67 -31.46 6.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 110.959 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.99 64.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 1.1899999999999999 110.791 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -66.61 -32.69 74.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 1.98 111.12 179.887 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.1 mtp180 -72.33 -46.88 53.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 2.79 111.21 -179.857 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.3400000000000001 111.115 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -51.94 -44.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 3.3999999999999999 110.551 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.411 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -63.52 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 2.0299999999999998 110.299 179.297 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.11 -46.6 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.288 -0.415 . . . . 1.3700000000000001 110.207 179.282 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -30.21 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 2.54 109.933 179.101 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.53 -30.58 63.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 2.7599999999999998 110.354 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 55.9 p-80 . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.22 -0.446 . . . . 3.8700000000000001 111.002 179.729 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.793 0.33 . . . . 2.1499999999999999 111.015 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -77.37 -40.34 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.488 . . . . 2.7799999999999998 110.175 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -61.05 -39.81 91.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.644 . . . . 2.8799999999999999 110.706 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.4 pt -69.8 -42.96 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 1.5600000000000001 111.245 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -35.61 13.38 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.424 0.63 . . . . 1.48 109.774 179.612 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 10.4 t0 -67.23 -45.15 77.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.196 -0.911 . . . . 1.4099999999999999 109.301 178.653 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 17' ' ' ILE . 11.1 mt -60.62 -47.68 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.433 -0.803 . . . . 1.1599999999999999 110.318 178.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' NE ' ' B' ' 24' ' ' ARG . 8.4 t0 -47.73 -34.03 7.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.264 -0.425 . . . . 1.29 111.155 179.729 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -74.74 -28.74 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 1.3500000000000001 110.439 179.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.0 mt-10 -85.86 -34.46 21.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.614 . . . . 2.0699999999999998 111.146 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.8 mt -64.05 -31.87 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 1.54 110.659 179.88 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.41 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 1.24 111.304 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.5 -43.36 68.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 1.79 111.005 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 10.8 mt -69.58 -52.43 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 1.23 111.068 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -52.07 -33.84 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 2.1499999999999999 111.225 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.27 -32.4 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.131 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.95 -32.41 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 2.1299999999999999 111.113 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -70.34 -47.09 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 3.5 111.19 -179.837 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -54.66 43.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 1.4399999999999999 111.089 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -50.37 -43.74 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 3.0099999999999998 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 22.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.837 -0.62 . . . . 1.96 110.057 179.069 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.903 0.382 . . . . 1.9399999999999999 110.719 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -39.58 41.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 2.79 110.183 179.482 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.11 -37.76 88.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 2.79 110.643 179.592 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -71.32 -42.94 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.7 111.195 179.835 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -50.76 -34.1 25.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.378 0.608 . . . . 1.51 109.913 179.672 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.6 -46.43 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.346 -0.843 . . . . 1.4399999999999999 109.321 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.7 mt -60.83 -46.9 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.469 -0.787 . . . . 1.22 110.214 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -48.44 -33.46 9.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 1.3200000000000001 111.097 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -28.41 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 1.4199999999999999 110.445 179.54 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -85.45 -34.01 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 2.0299999999999998 111.04 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.9 mt -64.07 -33.84 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 1.6000000000000001 110.606 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.11 34.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.638 . . . . 1.2 111.219 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -39.74 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 1.5800000000000001 111.214 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 13.3 mt -72.12 -55.83 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 1.26 111.181 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -49.41 -47.36 48.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 2.3599999999999999 111.195 -179.768 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.25 76.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 1.1899999999999999 110.993 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.18 77.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 1.98 110.974 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.423 ' HG2' ' HB ' ' A' ' 10' ' ' ILE . 15.9 ttt180 -74.98 -42.27 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 2.79 111.286 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -55.77 26.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.3400000000000001 110.974 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -42.31 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 3.3999999999999999 110.341 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mp -62.42 -37.75 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 2.0299999999999998 109.878 178.842 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.3 -46.17 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 1.3700000000000001 110.276 179.238 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -28.14 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 2.54 110.017 179.011 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -76.32 -31.3 58.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.673 -0.694 . . . . 2.7599999999999998 110.489 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 37.9 p-80 . . . . . 0 CA--C 1.53 0.184 0 CA-C-N 116.344 -0.389 . . . . 3.8700000000000001 111.017 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.832 0.348 . . . . 2.1499999999999999 110.986 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.05 -37.44 46.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.006 0.431 . . . . 2.7799999999999998 110.551 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -58.95 -41.01 86.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 2.8799999999999999 110.892 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -68.14 -43.01 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 1.5600000000000001 111.168 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.92 -34.54 13.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.433 0.635 . . . . 1.48 110.041 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.92 -48.59 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.381 -0.827 . . . . 1.4099999999999999 109.412 178.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 22.9 mt -60.05 -46.72 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 1.1599999999999999 110.157 178.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -48.5 -32.17 7.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.414 . . . . 1.29 110.95 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -29.3 59.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.3500000000000001 110.358 179.535 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 19.0 mt-10 -85.0 -33.21 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 2.0699999999999998 111.038 -179.9 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.3 mt -65.6 -33.32 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.075 0.464 . . . . 1.54 110.716 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.87 -36.95 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.772 -0.649 . . . . 1.24 111.222 -179.834 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.939 0.399 . . . . 1.79 110.797 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.7 mt -69.3 -49.03 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.68 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -52.23 -36.12 51.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 2.1499999999999999 111.006 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.34 91.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.28 110.984 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -65.18 -32.7 74.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 2.1299999999999999 110.907 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -41.06 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 3.5 110.94 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -56.81 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.4399999999999999 111.284 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -37.15 20.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.987 0.423 . . . . 3.0099999999999998 110.512 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 13.7 mt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.96 109.682 178.718 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.73 0.3 . . . . 1.9399999999999999 111.108 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.22 -38.83 50.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.089 0.471 . . . . 2.79 110.418 179.647 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.45 -41.53 89.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.808 -0.633 . . . . 2.79 110.758 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.405 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 16.9 pt -68.31 -43.25 84.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 1.7 111.138 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -47.82 -34.79 9.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.387 0.613 . . . . 1.51 110.063 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.78 -49.34 66.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.394 -0.821 . . . . 1.4399999999999999 109.562 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.492 ' O ' HG13 ' B' ' 17' ' ' ILE . 39.4 mt -59.69 -46.99 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.527 -0.76 . . . . 1.22 110.252 178.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -48.25 -32.35 7.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 1.3200000000000001 111.06 179.617 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.03 -29.07 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 1.4199999999999999 110.347 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -84.85 -33.34 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 110.976 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.5 mt -65.73 -33.34 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 1.6000000000000001 110.738 179.868 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.43 -36.67 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.648 . . . . 1.2 111.301 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -46.03 69.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.943 0.401 . . . . 1.5800000000000001 110.744 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.434 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.1 mt -67.38 -49.06 65.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 1.26 110.781 179.677 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -50.52 -36.08 32.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 2.3599999999999999 110.975 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.0 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 1.1899999999999999 110.764 179.704 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -33.92 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.98 110.895 179.867 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.485 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -72.98 -45.87 55.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 2.79 110.939 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -52.46 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 1.3400000000000001 111.209 -179.745 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.1 ptm180 -51.76 -44.65 63.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.014 0.435 . . . . 3.3999999999999999 110.525 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.43 -35.15 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.935 -0.575 . . . . 2.0299999999999998 110.125 179.298 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.67 -43.74 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.3700000000000001 110.264 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -52.74 -33.88 50.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 2.54 109.742 179.102 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -30.53 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.621 -0.718 . . . . 2.7599999999999998 110.324 179.18 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 51.9 p-80 . . . . . 0 C--N 1.333 -0.118 0 CA-C-N 116.257 -0.428 . . . . 3.8700000000000001 110.939 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 CA--C 1.526 0.029 0 CA-C-O 120.889 0.376 . . . . 2.1499999999999999 110.911 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.147 0.499 . . . . 2.7799999999999998 110.004 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -61.16 -36.24 79.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.609 -0.723 . . . . 2.8799999999999999 110.701 179.591 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.618 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 26.1 pt -68.98 -44.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 1.5600000000000001 111.065 179.783 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.0 t70 -49.61 -34.03 16.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.422 0.629 . . . . 1.48 109.714 179.477 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 1.4099999999999999 109.51 178.756 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 17' ' ' ILE . 23.1 mt -60.22 -50.1 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 1.1599999999999999 110.487 179.108 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -48.79 -31.56 7.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 1.29 111.1 179.71 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.36 -27.88 59.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.459 . . . . 1.3500000000000001 110.269 179.47 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 11.9 mt-10 -85.29 -37.63 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 2.0699999999999998 110.821 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.5 mt -60.72 -33.13 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 1.54 110.508 179.703 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.3 -36.68 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.674 -0.693 . . . . 1.24 111.355 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -46.15 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 1.79 110.862 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CB ' HG12 ' B' ' 17' ' ' ILE . 8.5 mt -67.29 -51.09 57.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 1.23 110.883 179.751 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -33.67 24.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 2.1499999999999999 111.05 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.88 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 1.28 110.83 179.783 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -69.07 -32.33 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 2.1299999999999999 111.034 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.9 OUTLIER -71.73 -45.9 60.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 3.5 111.006 -179.845 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -53.86 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.4399999999999999 111.307 -179.601 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -51.07 -46.33 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 3.0099999999999998 110.398 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 1.96 109.91 179.094 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.948 0.404 . . . . 1.9399999999999999 110.707 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -77.4 -39.69 46.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 2.79 110.265 179.477 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.71 -0.677 . . . . 2.79 110.728 179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 20.2 pt -71.42 -43.92 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.7 111.259 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -49.49 -34.93 18.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.432 0.634 . . . . 1.51 109.765 179.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.25 77.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.343 -0.844 . . . . 1.4399999999999999 109.252 178.708 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' B' ' 17' ' ' ILE . 24.3 mt -60.99 -47.11 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.468 -0.787 . . . . 1.22 110.185 178.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -48.0 -31.91 5.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.299 -0.409 . . . . 1.3200000000000001 111.006 179.645 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -76.48 -29.62 56.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 1.4199999999999999 110.375 179.579 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' ILE . 17.6 mt-10 -83.99 -33.74 24.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 2.0299999999999998 111.024 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.0 mt -64.47 -35.5 74.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 1.6000000000000001 110.646 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.59 -35.64 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.724 -0.671 . . . . 1.2 111.206 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.52 -46.11 73.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.264 -0.425 . . . . 1.5800000000000001 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.7 mt -65.68 -50.98 62.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 1.26 110.834 179.872 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.64 -30.6 9.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 2.3599999999999999 111.06 -179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.62 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.1899999999999999 110.919 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 26' ' ' ARG . 2.1 mptp? -64.64 -35.67 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.895 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.618 ' CD ' ' HB ' ' A' ' 10' ' ' ILE . 2.0 tpt85 -64.03 -49.31 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.989 -0.55 . . . . 2.79 111.191 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -56.17 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.417 -0.356 . . . . 1.3400000000000001 111.359 -179.669 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 4.7 ptm85 -48.21 -41.25 26.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.076 0.465 . . . . 3.3999999999999999 110.549 -179.813 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.511 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mm? -64.34 -39.3 93.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 2.0299999999999998 109.914 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.46 -42.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 1.3700000000000001 110.301 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.24 -34.26 56.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 2.54 109.912 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.5 -31.48 70.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.703 -0.681 . . . . 2.7599999999999998 110.117 179.189 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 31.7 p-80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 116.288 -0.414 . . . . 3.8700000000000001 111.004 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.839 0.352 . . . . 2.1499999999999999 110.813 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -40.59 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 2.7799999999999998 110.373 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.71 -37.24 85.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 2.8799999999999999 110.791 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.7 pt -70.95 -43.66 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 1.5600000000000001 111.199 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 10' ' ' ILE . 18.5 t70 -50.33 -34.38 23.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.352 0.596 . . . . 1.48 109.908 179.639 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.87 -46.36 75.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.336 -0.847 . . . . 1.4099999999999999 109.29 178.831 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 38.0 mt -60.93 -47.0 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.401 -0.818 . . . . 1.1599999999999999 110.231 178.89 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.74 -31.82 7.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.914 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -28.71 57.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 1.3500000000000001 110.319 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.4 mt-10 -84.93 -34.45 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.969 -0.559 . . . . 2.0699999999999998 111.046 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.6 mt -64.81 -33.13 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.521 . . . . 1.54 110.716 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -37.04 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.776 -0.647 . . . . 1.24 111.216 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.75 -44.76 70.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.401 . . . . 1.79 110.864 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.2 mt -68.31 -50.31 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.23 110.776 179.812 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.54 -30.58 31.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 2.1499999999999999 111.035 -179.822 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.47 -33.06 62.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 1.28 110.818 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.57 -31.17 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 2.1299999999999999 111.0 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -73.98 -46.88 41.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 3.5 111.072 -179.878 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -54.13 48.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 1.4399999999999999 111.309 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -45.17 59.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.232 -0.44 . . . . 3.0099999999999998 110.407 -179.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.9 mp . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 1.96 109.932 179.059 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.739 0.304 . . . . 1.9399999999999999 111.133 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -77.0 -38.14 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.939 0.4 . . . . 2.79 110.493 179.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -60.07 -40.14 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 2.79 110.836 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.3 pt -69.63 -43.04 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.7 111.288 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.07 -34.76 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.367 0.603 . . . . 1.51 109.951 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.828 . . . . 1.4399999999999999 109.377 178.731 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' B' ' 17' ' ' ILE . 22.4 mt -60.42 -46.85 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.377 -0.829 . . . . 1.22 110.224 178.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -48.09 -32.95 7.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.354 -0.385 . . . . 1.3200000000000001 111.035 179.583 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -29.16 59.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 1.4199999999999999 110.304 179.621 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.59 -34.39 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.0299999999999998 111.062 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.6 mt -64.01 -34.18 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.122 0.487 . . . . 1.6000000000000001 110.782 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.11 -36.75 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.679 . . . . 1.2 111.244 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -54.48 -46.17 73.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 1.5800000000000001 110.857 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.4 mt -66.33 -50.94 61.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 1.26 110.909 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.24 -32.83 25.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 2.3599999999999999 111.228 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.97 72.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.1899999999999999 111.0 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -34.4 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.98 111.122 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.476 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -68.77 -46.0 69.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 2.79 111.179 -179.822 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -54.65 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.3400000000000001 111.267 -179.61 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 5.0 ptm180 -50.45 -42.22 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.095 0.474 . . . . 3.3999999999999999 110.538 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 10.4 mt -64.98 -36.7 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 2.0299999999999998 110.045 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.95 -42.28 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 1.3700000000000001 110.105 179.077 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -33.26 44.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.83 -0.623 . . . . 2.54 109.739 179.07 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -32.82 69.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.665 -0.698 . . . . 2.7599999999999998 110.305 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 20.7 p-80 . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.399 . . . . 3.8700000000000001 111.003 179.459 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.347 . . . . 2.1499999999999999 110.892 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -78.36 -34.79 48.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 2.7799999999999998 110.516 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -60.48 -38.96 85.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 2.8799999999999999 110.78 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 19.0 pt -70.77 -43.16 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.5600000000000001 111.322 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.0 t70 -49.8 -34.03 18.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.371 0.605 . . . . 1.48 110.065 179.771 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.46 -47.2 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.384 -0.825 . . . . 1.4099999999999999 109.414 178.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.463 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 18.8 mt -60.3 -48.68 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.548 -0.751 . . . . 1.1599999999999999 110.466 179.12 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -48.54 -33.03 8.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.135 179.728 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -28.02 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.3500000000000001 110.386 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -85.76 -37.96 18.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 2.0699999999999998 111.021 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.0 mt -61.12 -32.48 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.49 . . . . 1.54 110.781 -179.959 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.62 -40.14 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 1.24 111.12 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -54.94 -44.45 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.79 110.924 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.3 mt -66.07 -52.67 46.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.23 111.092 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -38.55 28.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 2.1499999999999999 111.351 -179.688 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.83 87.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.455 . . . . 1.28 110.92 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -58.61 -34.47 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 2.1299999999999999 111.056 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -43.2 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 3.5 111.085 -179.795 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -56.38 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.4399999999999999 111.282 -179.758 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -41.44 39.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.105 0.479 . . . . 3.0099999999999998 110.58 -179.788 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.96 109.981 179.078 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.771 0.32 . . . . 1.9399999999999999 111.015 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -77.56 -41.11 40.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 2.79 110.267 179.558 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.65 -35.71 76.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 2.79 110.832 179.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -73.46 -43.66 55.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.333 . . . . 1.7 111.359 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.99 -35.17 10.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.342 0.591 . . . . 1.51 109.884 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.15 -49.1 63.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.342 -0.845 . . . . 1.4399999999999999 109.69 178.941 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' B' ' 17' ' ' ILE . 37.3 mt -59.4 -48.94 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 1.22 110.594 179.215 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.9 -33.93 8.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.328 -0.396 . . . . 1.3200000000000001 111.131 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -28.27 61.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 1.4199999999999999 110.362 179.723 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 13' ' ' ILE . 3.0 mm-40 -85.95 -35.18 20.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.873 -0.603 . . . . 2.0299999999999998 110.994 -179.71 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.4 mt -63.66 -31.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 1.6000000000000001 110.856 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.82 -44.73 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 1.2 111.351 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.38 -39.09 56.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 1.5800000000000001 110.944 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.62 -55.05 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 1.26 111.091 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -32.18 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 2.3599999999999999 111.268 -179.676 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.52 -33.46 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.403 . . . . 1.1899999999999999 111.103 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -69.34 -31.03 69.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 1.98 111.141 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.463 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.99 -46.86 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 2.79 111.216 -179.855 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.3400000000000001 111.185 -179.712 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -50.74 -43.56 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 3.3999999999999999 110.536 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt -64.87 -35.61 81.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 2.0299999999999998 110.23 179.35 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -65.68 -44.61 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 1.3700000000000001 110.345 179.452 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -33.88 40.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.531 . . . . 2.54 109.891 179.15 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.45 -31.75 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.667 -0.697 . . . . 2.7599999999999998 110.324 179.183 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 54.3 p-80 . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.24 -0.436 . . . . 3.8700000000000001 111.007 179.542 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 2.1499999999999999 110.961 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -75.15 -34.08 61.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 2.7799999999999998 110.425 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -62.51 -41.11 98.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 2.8799999999999999 110.761 179.802 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.29 -42.93 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.5600000000000001 111.253 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.81 -34.2 18.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.433 0.635 . . . . 1.48 109.979 179.67 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.77 -44.58 73.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 1.4099999999999999 109.425 178.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 26.9 mt -61.15 -48.14 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.412 -0.813 . . . . 1.1599999999999999 110.298 178.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -48.87 -33.93 11.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.356 -0.384 . . . . 1.29 111.097 179.678 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -26.96 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 1.3500000000000001 110.467 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -86.94 -36.01 18.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 2.0699999999999998 111.021 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.4 mt -62.1 -32.22 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 1.54 110.673 179.775 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.55 -39.87 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.639 -0.71 . . . . 1.24 111.073 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.45 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.798 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 ' CB ' HG12 ' B' ' 17' ' ' ILE . 2.5 mt -75.3 -56.45 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.804 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -43.86 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 2.1499999999999999 110.994 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.05 70.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 1.28 110.845 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -35.45 64.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 2.1299999999999999 110.808 179.886 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' HB ' ' B' ' 10' ' ' ILE . 18.9 ttt180 -71.08 -41.17 71.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 3.5 111.176 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -56.09 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 1.4399999999999999 111.06 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.6 ptp180 -49.78 -37.84 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 3.0099999999999998 110.457 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.509 . . . . 1.96 109.75 178.891 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 1.9399999999999999 110.816 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -77.74 -39.22 45.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.126 0.488 . . . . 2.79 110.206 179.471 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -60.82 -40.24 92.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 2.79 110.718 179.647 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.407 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.9 pt -69.41 -42.59 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 1.7 111.217 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.84 -35.25 14.15 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.554 0.692 . . . . 1.51 109.8 179.581 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -67.93 -43.82 78.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.175 -0.921 . . . . 1.4399999999999999 109.266 178.634 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.485 ' O ' HG13 ' B' ' 17' ' ' ILE . 12.3 mt -61.43 -48.81 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.464 -0.789 . . . . 1.22 110.335 179.053 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -47.65 -34.41 8.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.437 -0.347 . . . . 1.3200000000000001 111.187 179.763 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -28.23 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 1.4199999999999999 110.438 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.6 mm-40 -85.71 -38.16 18.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 2.0299999999999998 111.046 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.7 mt -59.35 -33.26 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.625 179.896 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.03 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.698 -0.683 . . . . 1.2 111.278 -179.848 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.24 -41.87 69.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 1.5800000000000001 111.083 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 9.3 mt -67.69 -53.44 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.26 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -33.7 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 2.3599999999999999 111.312 -179.661 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.36 -29.75 62.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.1899999999999999 111.062 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -33.01 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 1.98 111.118 -179.864 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.19 -44.68 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 2.79 111.255 -179.793 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.3400000000000001 111.312 -179.498 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.85 38.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 3.3999999999999999 110.579 -179.705 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.8 mt -65.98 -38.46 88.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.946 -0.57 . . . . 2.0299999999999998 110.099 179.109 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -62.09 -47.23 94.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 1.3700000000000001 110.429 179.417 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -32.49 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 2.54 109.836 179.169 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 2.7599999999999998 110.36 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 49.0 p-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-N 116.259 -0.428 . . . . 3.8700000000000001 110.989 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 2.1499999999999999 110.801 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -81.6 -40.71 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 2.7799999999999998 110.145 179.465 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -62.06 -33.9 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.686 . . . . 2.8799999999999999 110.681 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.4 pt -72.02 -43.45 67.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 1.5600000000000001 111.206 179.834 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -50.74 -34.51 27.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.384 0.611 . . . . 1.48 109.696 179.67 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -47.06 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.326 -0.852 . . . . 1.4099999999999999 109.361 178.876 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.4 mt -60.86 -46.46 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.587 -0.733 . . . . 1.1599999999999999 110.304 178.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -48.05 -33.11 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 1.29 111.034 179.662 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -29.02 58.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 1.3500000000000001 110.434 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.3 mt-10 -84.23 -33.34 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 2.0699999999999998 110.969 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.3 mt -64.77 -34.65 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 1.54 110.682 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.36 -36.34 46.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.656 -0.702 . . . . 1.24 111.39 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.36 -48.81 73.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.802 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.6 mt -62.71 -52.19 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.23 111.011 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.63 -30.34 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 2.1499999999999999 111.179 -179.785 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 1.28 110.975 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -67.04 -33.47 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.1299999999999999 111.175 -179.877 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -71.63 -47.07 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 3.5 111.33 -179.742 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -53.12 61.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 1.4399999999999999 111.285 -179.619 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -51.02 -44.36 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 3.0099999999999998 110.667 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 6.8 mp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 1.96 110.32 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.896 0.379 . . . . 1.9399999999999999 110.798 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.98 -33.95 44.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 2.79 110.367 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -61.06 -38.69 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 2.79 110.781 179.753 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.3 pt -70.58 -43.09 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 1.7 111.102 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.11 -34.67 14.45 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.345 0.593 . . . . 1.51 109.965 179.568 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.47 -47.46 70.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.433 -0.803 . . . . 1.4399999999999999 109.329 178.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.7 mt -59.84 -47.86 89.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 1.22 110.307 178.932 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -48.6 -32.14 7.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.272 -0.422 . . . . 1.3200000000000001 110.974 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -28.71 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.4199999999999999 110.337 179.493 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.6 mt-10 -85.4 -35.45 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 2.0299999999999998 111.044 -179.825 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.3 mt -63.71 -32.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 1.6000000000000001 110.838 179.895 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.81 28.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 1.2 111.156 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.64 -43.48 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 1.5800000000000001 110.877 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CB ' HG12 ' A' ' 17' ' ' ILE . 11.1 mt -70.1 -51.54 30.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 1.26 110.933 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -53.13 -34.16 55.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 2.3599999999999999 111.109 -179.837 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.27 63.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 1.1899999999999999 111.096 179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -71.73 -33.78 69.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.98 111.062 -179.935 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.98 -46.17 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.403 . . . . 2.79 111.139 -179.859 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -55.26 31.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.3400000000000001 111.212 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -49.84 -44.01 49.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.102 0.477 . . . . 3.3999999999999999 110.468 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 4.3 mp -62.37 -37.75 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 2.0299999999999998 110.027 179.151 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.444 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 40.3 t -62.64 -47.42 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.232 -0.44 . . . . 1.3700000000000001 110.287 179.262 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -50.83 -29.69 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 2.54 109.71 179.151 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -34.4 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.564 -0.744 . . . . 2.7599999999999998 110.358 179.156 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' B' ' 28' ' ' VAL . 24.4 p-80 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 3.8700000000000001 111.067 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.054 0.454 . . . . 2.1499999999999999 110.463 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -40.64 39.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 2.7799999999999998 110.095 179.264 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -39.52 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.806 -0.633 . . . . 2.8799999999999999 110.696 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.6 pt -69.62 -43.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 1.5600000000000001 111.159 179.877 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.4 -34.19 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.315 0.578 . . . . 1.48 109.944 179.659 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.42 -47.81 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.347 -0.842 . . . . 1.4099999999999999 109.339 178.87 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 22.6 mt -59.84 -47.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 1.1599999999999999 110.146 178.969 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.68 -32.38 8.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 1.29 110.98 179.634 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -75.37 -28.8 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 1.3500000000000001 110.314 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -84.99 -34.11 22.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 2.0699999999999998 111.032 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.2 mt -64.83 -32.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 1.54 110.735 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.74 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.763 -0.653 . . . . 1.24 111.184 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.15 -45.72 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 1.79 110.765 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.0 mt -67.53 -50.27 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 1.23 110.783 179.754 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -33.37 33.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 2.1499999999999999 111.116 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.25 72.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 1.28 110.919 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -66.14 -33.82 76.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 2.1299999999999999 110.991 179.894 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -71.76 -44.73 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 3.5 111.116 -179.963 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -56.18 24.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 1.4399999999999999 111.016 -179.767 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -40.91 55.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.159 0.504 . . . . 3.0099999999999998 110.407 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 1.96 109.907 178.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.815 0.341 . . . . 1.9399999999999999 110.8 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -41.64 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 2.79 110.374 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.44 -36.58 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.69 -0.686 . . . . 2.79 110.755 179.804 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.5 pt -71.62 -43.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 1.7 111.226 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -50.4 -34.42 24.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.336 0.588 . . . . 1.51 109.906 179.655 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -47.95 71.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.41 -0.814 . . . . 1.4399999999999999 109.481 178.816 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' B' ' 17' ' ' ILE . 22.8 mt -60.43 -46.87 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 1.22 110.282 178.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -48.33 -32.45 7.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.292 -0.413 . . . . 1.3200000000000001 111.056 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -29.27 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.4199999999999999 110.373 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 20.4 mt-10 -84.41 -33.86 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 2.0299999999999998 111.027 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.5 mt -64.86 -34.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.693 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.49 -37.63 42.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 1.2 111.366 -179.652 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -53.5 -44.5 69.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 1.5800000000000001 110.998 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.1 mt -67.85 -50.49 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 1.26 111.037 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -50.98 -36.33 38.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 2.3599999999999999 111.278 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.41 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.1899999999999999 110.947 179.856 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.53 -33.91 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 1.98 111.129 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.471 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -70.16 -46.35 64.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.79 111.194 -179.8 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.47 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.3400000000000001 111.224 -179.638 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -49.55 -43.11 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 3.3999999999999999 110.477 -179.85 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.2 mm? -64.69 -38.28 90.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 2.0299999999999998 110.169 179.258 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -62.13 -46.16 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.239 -0.437 . . . . 1.3700000000000001 110.395 179.465 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.93 -33.06 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 2.54 109.943 179.274 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.13 -30.3 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.696 -0.684 . . . . 2.7599999999999998 110.318 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 49.2 p-80 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.923 0.392 . . . . 3.8700000000000001 110.975 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.897 0.379 . . . . 2.1499999999999999 110.957 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -79.87 -36.54 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 2.7799999999999998 110.339 179.602 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -61.7 -36.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.881 -0.6 . . . . 2.8799999999999999 110.782 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -70.97 -43.13 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 1.5600000000000001 111.076 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.27 -34.43 23.32 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.35 0.595 . . . . 1.48 109.789 179.54 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -46.24 76.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.313 -0.858 . . . . 1.4099999999999999 109.271 178.694 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.4 mt -61.0 -46.31 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.485 -0.78 . . . . 1.1599999999999999 110.129 178.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.38 -32.7 7.92 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.985 179.539 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.54 59.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 1.3500000000000001 110.399 179.523 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' ILE . 18.9 mt-10 -83.93 -33.83 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 2.0699999999999998 110.883 -179.772 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.3 mt -64.54 -34.17 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 1.54 110.737 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.34 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.775 -0.648 . . . . 1.24 111.284 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.78 -44.51 73.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 1.79 110.923 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CB ' HG12 ' B' ' 17' ' ' ILE . 9.0 mt -67.88 -52.28 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 1.23 111.068 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.79 -30.87 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 2.1499999999999999 111.095 -179.854 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.44 -31.63 60.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 1.28 110.909 179.875 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -36.32 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 2.1299999999999999 111.08 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.27 -43.68 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 3.5 111.02 -179.841 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -55.17 24.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.4399999999999999 111.256 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -48.47 -41.99 31.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.991 0.424 . . . . 3.0099999999999998 110.537 -179.859 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 3.3 mm? . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 1.96 110.015 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.989 0.423 . . . . 1.9399999999999999 110.48 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -78.24 -42.98 29.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.927 -0.579 . . . . 2.79 109.954 179.318 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -58.36 -39.3 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 2.79 110.816 179.765 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.06 -42.88 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.985 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.99 -34.34 9.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.35 0.595 . . . . 1.51 109.888 179.529 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -48.45 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.382 -0.826 . . . . 1.4399999999999999 109.497 178.846 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' B' ' 17' ' ' ILE . 36.3 mt -59.61 -47.58 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 1.22 110.332 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -49.08 -32.87 10.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 1.3200000000000001 111.021 179.574 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.82 -27.77 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 1.4199999999999999 110.291 179.532 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mm-40 -85.61 -36.03 20.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.837 -0.619 . . . . 2.0299999999999998 110.853 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.8 mt -62.23 -33.07 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.6000000000000001 110.652 179.86 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.15 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.2 111.118 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -54.34 -43.41 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.931 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CB ' HG12 ' A' ' 17' ' ' ILE . 8.8 mt -70.17 -50.9 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.26 110.942 179.885 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -50.56 -38.47 45.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 2.3599999999999999 111.061 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.41 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.1899999999999999 110.845 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -33.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 1.98 110.958 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.465 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.11 -41.82 66.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 2.79 111.254 -179.82 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -56.76 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.3400000000000001 111.518 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.92 35.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.033 0.444 . . . . 3.3999999999999999 110.356 -179.733 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.425 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 0.2 OUTLIER -62.93 -39.37 94.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.899 -0.591 . . . . 2.0299999999999998 109.782 178.88 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.28 -44.96 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.089 -0.505 . . . . 1.3700000000000001 110.171 179.215 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -51.51 -29.05 15.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.826 -0.625 . . . . 2.54 110.012 179.186 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.35 -30.55 53.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.681 -0.691 . . . . 2.7599999999999998 110.594 179.324 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 46.1 p-80 . . . . . 0 CA--C 1.529 0.172 0 CA-C-N 116.311 -0.404 . . . . 3.8700000000000001 111.084 179.774 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.977 0.417 . . . . 2.1499999999999999 110.745 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -77.45 -42.51 35.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.203 0.525 . . . . 2.7799999999999998 110.136 179.452 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -40.39 91.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 2.8799999999999999 110.634 179.691 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.8 pt -68.07 -41.37 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 1.5600000000000001 111.08 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -49.32 -35.37 18.11 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.505 0.669 . . . . 1.48 109.553 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 15.2 t70 -68.79 -39.71 80.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 1.4099999999999999 109.017 178.446 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.564 ' HB ' ' CG ' ' B' ' 24' ' ' ARG . 28.0 mt -62.16 -50.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.1599999999999999 110.277 178.846 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -49.12 -32.2 9.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 1.29 111.074 179.739 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -27.73 60.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.5 . . . . 1.3500000000000001 110.353 179.497 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 3.8 mm-40 -85.71 -36.48 20.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.703 -0.68 . . . . 2.0699999999999998 110.951 -179.814 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' B' ' 24' ' ' ARG . 11.1 mt -61.62 -33.81 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.602 179.76 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.48 -37.16 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 1.24 111.279 -179.833 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -44.3 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.79 110.938 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' CB ' HG12 ' B' ' 17' ' ' ILE . 8.8 mt -69.09 -50.33 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 1.23 110.982 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 2.1499999999999999 111.167 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.14 71.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 1.28 110.782 179.766 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 2.1299999999999999 110.951 179.946 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.63 -46.95 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 3.5 111.21 -179.713 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.38 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.4399999999999999 111.108 -179.727 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.35 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 3.0099999999999998 110.357 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 1.96 109.973 179.069 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.986 0.422 . . . . 1.9399999999999999 110.662 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -40.18 55.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.945 -0.57 . . . . 2.79 110.236 179.396 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 2.79 110.744 179.788 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 pt -71.52 -43.57 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.7 111.155 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.54 -35.07 19.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.397 0.617 . . . . 1.51 109.815 179.504 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.56 -46.29 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.275 -0.875 . . . . 1.4399999999999999 109.282 178.752 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 32.9 mt -60.77 -44.51 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 1.22 110.109 178.809 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.61 -33.99 10.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.354 -0.385 . . . . 1.3200000000000001 110.813 179.363 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.02 -28.44 60.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 1.4199999999999999 110.437 179.607 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.01 -33.68 22.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 2.0299999999999998 111.052 -179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.6 mt -64.02 -34.24 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 1.6000000000000001 110.615 179.808 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.5 39.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 1.2 111.063 179.913 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -54.26 -41.71 69.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.5800000000000001 111.076 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.8 mt -71.2 -53.9 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.26 111.009 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.84 -34.3 40.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 2.3599999999999999 111.234 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.66 -27.32 58.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 1.1899999999999999 111.249 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -80.65 -32.75 36.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 1.98 111.115 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.564 ' CG ' ' HB ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.65 -34.55 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 2.79 111.145 -179.734 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -56.03 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 1.3400000000000001 111.119 -179.853 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.17 -34.99 10.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.922 0.392 . . . . 3.3999999999999999 110.468 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.3 mp -68.99 -40.74 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 2.0299999999999998 109.649 178.753 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.435 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 38.4 t -61.21 -46.94 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 1.3700000000000001 110.182 179.076 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -31.06 35.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 2.54 109.73 178.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.39 -30.52 67.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.618 -0.719 . . . . 2.7599999999999998 110.324 179.143 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 42.2 p-80 . . . . . 0 C--N 1.333 -0.131 0 CA-C-O 120.846 0.355 . . . . 3.8700000000000001 111.026 179.538 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.141 0.496 . . . . 2.1499999999999999 110.386 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -37.95 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.595 -0.729 . . . . 2.7799999999999998 110.306 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -62.8 -30.57 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.711 -0.677 . . . . 2.8799999999999999 110.942 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 10' ' ' ILE . 22.4 pt -76.75 -46.19 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.866 -0.333 . . . . 1.5600000000000001 111.41 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.3 t0 -49.23 -34.13 14.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.519 0.676 . . . . 1.48 109.961 179.622 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.08 -49.53 50.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.209 -0.905 . . . . 1.4099999999999999 110.106 179.081 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' ILE . 21.0 mt -59.15 -48.83 85.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.619 . . . . 1.1599999999999999 110.569 179.329 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -47.87 -35.36 10.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 1.29 111.179 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.75 -27.61 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.3500000000000001 110.516 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.2 mm-40 -86.39 -34.97 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 2.0699999999999998 111.03 -179.801 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.1 mt -62.87 -31.49 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.54 110.538 179.769 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.89 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.641 -0.708 . . . . 1.24 111.103 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -41.49 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 1.79 111.016 -179.872 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.8 mt -71.26 -51.72 22.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.23 111.07 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.97 -35.9 26.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 2.1499999999999999 111.155 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.28 110.884 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -66.56 -34.83 78.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 2.1299999999999999 110.952 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -41.01 70.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 3.5 110.985 -179.886 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.4399999999999999 111.341 -179.572 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.17 26.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.047 0.451 . . . . 3.0099999999999998 110.64 -179.665 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.5 mp . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.49 -0.559 . . . . 1.96 109.49 178.868 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 1.9399999999999999 110.67 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.74 -42.85 23.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 2.79 110.121 179.468 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -36.56 78.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 2.79 110.67 179.64 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -70.38 -43.13 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 1.7 111.041 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.97 -34.42 12.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.344 0.593 . . . . 1.51 109.724 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.42 -47.04 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.267 -0.878 . . . . 1.4399999999999999 109.539 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' B' ' 17' ' ' ILE . 37.5 mt -61.0 -47.37 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 1.22 110.279 179.036 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -48.77 -32.29 8.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 1.3200000000000001 110.975 179.579 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -75.93 -28.66 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 1.4199999999999999 110.391 179.589 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.37 -34.22 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 110.784 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.9 mt -64.48 -33.63 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 1.6000000000000001 110.704 179.913 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.97 -36.93 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 1.2 111.258 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -54.33 -46.1 72.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 1.5800000000000001 110.854 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.4 mt -66.28 -49.39 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 1.26 110.801 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -50.56 -42.03 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 2.3599999999999999 111.1 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 1.1899999999999999 111.073 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -59.56 -43.41 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 1.98 111.001 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.411 ' O ' ' CG2' ' B' ' 28' ' ' VAL . 0.0 OUTLIER -67.99 -40.76 83.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 2.79 110.892 -179.947 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -61.38 -54.37 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.3400000000000001 111.24 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' B' ' 27' ' ' LEU . 3.6 ptm85 -49.94 -37.58 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 3.3999999999999999 110.772 -179.761 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' B' ' 26' ' ' ARG . 9.1 mp -78.72 -31.92 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 2.0299999999999998 110.495 179.239 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' B' ' 24' ' ' ARG . 81.6 t -68.82 -56.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.917 0.389 . . . . 1.3700000000000001 110.225 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -52.6 -35.74 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 2.54 109.745 179.207 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -72.62 -26.46 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.477 -0.783 . . . . 2.7599999999999998 110.041 178.739 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.754 -0.657 . . . . 3.8700000000000001 111.502 179.869 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 2.1499999999999999 110.783 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -41.15 37.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 2.7799999999999998 110.301 179.606 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -39.31 89.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.786 -0.643 . . . . 2.8799999999999999 110.753 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.8 pt -68.67 -42.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.5600000000000001 111.101 179.794 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.9 -34.47 20.4 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.374 0.607 . . . . 1.48 109.956 179.588 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -66.87 -46.64 74.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 1.4099999999999999 109.328 178.828 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 17' ' ' ILE . 22.9 mt -60.82 -46.01 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 1.1599999999999999 110.143 178.842 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.94 -32.3 8.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.188 -0.46 . . . . 1.29 110.906 179.496 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -28.73 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.3500000000000001 110.276 179.549 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -84.5 -33.76 23.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 2.0699999999999998 110.947 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.2 mt -65.18 -33.77 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 1.54 110.77 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -36.45 40.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 1.24 111.123 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -46.11 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 1.79 110.783 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.3 mt -65.94 -49.99 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 1.23 110.713 179.674 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.64 -42.25 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 2.1499999999999999 111.025 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.22 82.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 1.28 111.134 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -60.98 -40.43 93.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.1299999999999999 110.904 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -41.28 74.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 3.5 110.796 179.878 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -61.27 -53.26 59.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 1.4399999999999999 111.237 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 2.7 ptm85 -50.01 -40.35 44.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 3.0099999999999998 110.669 -179.807 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 8.6 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 1.96 110.453 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.038 0.447 . . . . 1.9399999999999999 110.833 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.89 -39.98 25.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 2.79 110.485 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.05 71.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 2.79 110.86 179.937 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.3 pt -75.16 -45.54 41.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.892 -0.323 . . . . 1.7 111.406 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.32 -34.51 10.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.504 0.668 . . . . 1.51 110.164 179.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.43 -52.25 34.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.285 -0.87 . . . . 1.4399999999999999 110.077 179.172 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 17' ' ' ILE . 52.2 mt -58.2 -47.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.832 -0.622 . . . . 1.22 110.497 179.397 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.8 t0 -47.11 -35.3 6.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 1.3200000000000001 111.164 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -29.27 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 1.4199999999999999 110.394 179.673 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' B' ' 13' ' ' ILE . 12.7 mt-10 -85.78 -34.57 21.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.623 . . . . 2.0299999999999998 111.205 -179.649 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.2 mt -63.26 -31.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.074 0.464 . . . . 1.6000000000000001 110.571 179.905 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.32 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.725 -0.671 . . . . 1.2 111.342 -179.745 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.15 -43.8 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.36 . . . . 1.5800000000000001 110.945 -179.874 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.7 mt -68.53 -52.68 29.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 1.26 111.024 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -50.39 -32.08 16.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.431 . . . . 2.3599999999999999 111.207 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.55 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 1.1899999999999999 110.919 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.21 -31.74 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.98 111.101 -179.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.23 -43.38 64.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 2.79 111.003 -179.926 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.3400000000000001 111.286 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 8.4 ptm180 -49.22 -42.49 40.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.121 0.486 . . . . 3.3999999999999999 110.419 -179.777 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.413 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 1.6 mt -64.15 -38.65 91.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 2.0299999999999998 110.075 179.17 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.59 -42.38 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.172 -0.467 . . . . 1.3700000000000001 110.219 179.255 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -33.32 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 2.54 109.797 179.055 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.27 -30.98 68.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 2.7599999999999998 110.245 179.129 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 37.4 p-80 . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 116.346 -0.388 . . . . 3.8700000000000001 110.924 179.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.876 0.369 . . . . 2.1499999999999999 111.176 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.27 -35.03 61.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 2.7799999999999998 110.578 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.99 -41.29 87.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.8799999999999999 110.839 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.4 pt -70.81 -42.59 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 1.5600000000000001 111.265 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -34.72 8.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.441 0.639 . . . . 1.48 110.057 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.6 -50.28 52.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.354 -0.839 . . . . 1.4099999999999999 109.68 178.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 17' ' ' ILE . 37.0 mt -58.73 -48.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 1.1599999999999999 110.575 179.186 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.3 -33.62 9.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.321 -0.4 . . . . 1.29 111.124 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.47 -28.42 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 1.3500000000000001 110.322 179.665 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.9 mt-10 -85.46 -34.64 21.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 2.0699999999999998 110.962 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.3 mt -63.66 -31.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 1.54 110.683 179.85 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.61 -39.35 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 1.24 111.337 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.65 -43.54 68.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 1.79 111.066 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' B' ' 17' ' ' ILE . 10.8 mt -69.55 -54.28 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.23 111.096 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -51.63 -34.47 37.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.244 -0.434 . . . . 2.1499999999999999 111.206 -179.67 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.46 65.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 1.28 111.087 179.94 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -36.06 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 2.1299999999999999 111.139 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -68.49 -45.73 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 3.5 111.259 -179.746 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -55.48 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 1.4399999999999999 111.197 -179.564 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -49.39 -42.58 42.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.131 0.491 . . . . 3.0099999999999998 110.454 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.753 -0.658 . . . . 1.96 110.141 179.155 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.04 0.448 . . . . 1.9399999999999999 110.337 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -75.12 -47.9 26.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 2.79 110.454 179.394 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -57.63 -37.05 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.665 -0.698 . . . . 2.79 111.188 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.416 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.1 pt -71.12 -43.44 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 1.7 111.481 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.8 t0 -49.69 -34.66 19.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.386 0.612 . . . . 1.51 109.986 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -67.46 -48.07 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.346 -0.843 . . . . 1.4399999999999999 109.594 179.02 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.488 ' O ' HG13 ' B' ' 17' ' ' ILE . 21.6 mt -59.99 -46.91 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.516 -0.765 . . . . 1.22 110.371 179.162 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -47.98 -34.3 9.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.378 . . . . 1.3200000000000001 111.099 179.79 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -29.21 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.4199999999999999 110.372 179.685 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -84.42 -33.8 23.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 2.0299999999999998 111.118 -179.805 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -64.55 -32.41 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.478 . . . . 1.6000000000000001 110.716 179.903 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.28 -39.14 33.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 1.2 111.306 -179.668 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -54.19 -44.26 71.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.38 -0.373 . . . . 1.5800000000000001 111.167 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.9 mt -67.79 -52.96 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 1.26 111.179 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 2.3599999999999999 111.201 -179.718 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.52 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 1.1899999999999999 111.085 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -69.47 -35.61 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.98 111.101 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -44.55 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 2.79 111.142 -179.815 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -53.55 53.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 1.3400000000000001 111.268 -179.746 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -50.32 -43.32 53.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.031 0.443 . . . . 3.3999999999999999 110.607 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -64.5 -35.71 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 2.0299999999999998 110.202 179.33 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.88 -45.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 1.3700000000000001 110.323 179.4 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -32.57 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 2.54 109.767 179.111 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.12 -30.06 66.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 2.7599999999999998 110.307 179.118 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 46.8 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.8700000000000001 111.059 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.017 0.436 . . . . 2.1499999999999999 110.424 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -80.96 -43.25 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 2.7799999999999998 110.216 179.412 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.25 -34.08 71.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.669 -0.696 . . . . 2.8799999999999999 110.838 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -72.68 -43.91 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.5600000000000001 111.3 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.5 m-20 -48.84 -34.82 13.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.454 0.645 . . . . 1.48 109.941 179.66 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.94 -46.98 69.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.201 -0.909 . . . . 1.4099999999999999 109.626 178.891 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.5 mt -61.21 -47.94 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 1.1599999999999999 110.523 179.269 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 3.7 t0 -47.49 -35.0 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.87 0.367 . . . . 1.29 111.239 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -28.83 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.145 0.498 . . . . 1.3500000000000001 110.525 179.656 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.6 -33.14 23.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.783 -0.644 . . . . 2.0699999999999998 111.009 -179.799 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.8 mt -64.49 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 1.54 110.705 179.826 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.81 36.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 1.24 111.43 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -44.04 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 1.79 111.181 -179.844 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mt -67.61 -53.5 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.23 111.233 -179.853 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -50.7 -31.03 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 2.1499999999999999 111.254 -179.663 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.52 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 1.28 111.241 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 2.1299999999999999 111.2 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -43.67 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 3.5 111.208 -179.732 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -53.7 50.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.333 . . . . 1.4399999999999999 111.382 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -49.74 -43.6 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.052 0.453 . . . . 3.0099999999999998 110.563 -179.763 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 1.96 110.199 179.307 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.776 0.322 . . . . 1.9399999999999999 110.915 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.93 -35.73 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 2.79 110.391 179.67 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -41.95 97.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 2.79 110.738 179.772 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.3 pt -70.63 -42.89 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.7 111.21 179.932 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -47.94 -34.47 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.349 0.595 . . . . 1.51 109.983 179.72 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.4 OUTLIER -68.48 -50.1 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.385 -0.825 . . . . 1.4399999999999999 109.718 178.901 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' B' ' 17' ' ' ILE . 36.0 mt -58.8 -48.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 1.22 110.415 179.148 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.69 -33.5 10.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 1.3200000000000001 111.157 179.815 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -28.07 60.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 1.4199999999999999 110.361 179.531 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 19.2 mt-10 -85.7 -35.23 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 2.0299999999999998 110.891 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.3 mt -63.0 -31.93 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.6000000000000001 110.592 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 -38.13 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 1.2 111.031 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -54.06 -43.49 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.999 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.6 mt -71.16 -52.84 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.26 111.01 179.92 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -52.59 -35.44 54.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 2.3599999999999999 111.122 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.97 65.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 1.1899999999999999 111.136 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -35.25 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.98 111.079 -179.843 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -44.04 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 2.79 111.21 -179.758 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -58.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 1.3400000000000001 111.281 -179.649 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -34.01 7.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 3.3999999999999999 110.509 -179.903 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.463 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 4.9 mp -70.76 -41.89 71.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.94 -0.573 . . . . 2.0299999999999998 109.769 178.847 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.41 -49.14 84.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.546 . . . . 1.3700000000000001 110.57 179.39 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -34.85 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 2.54 109.833 179.223 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.69 -29.64 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.7599999999999998 110.432 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 54.0 p-80 . . . . . 0 CA--C 1.529 0.151 0 CA-C-N 116.287 -0.415 . . . . 3.8700000000000001 110.952 179.667 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.927 0.394 . . . . 2.1499999999999999 110.771 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -43.58 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 2.7799999999999998 110.198 179.514 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -60.31 -40.83 91.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.65 -0.705 . . . . 2.8799999999999999 110.76 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 14.5 pt -68.57 -42.77 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 1.5600000000000001 111.046 179.913 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -47.98 -35.39 10.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.386 0.612 . . . . 1.48 109.88 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.29 -49.16 68.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.323 -0.853 . . . . 1.4099999999999999 109.49 178.766 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.3 mt -60.21 -47.27 92.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.1599999999999999 110.36 179.108 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.06 -32.16 6.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 1.29 111.025 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -76.24 -29.29 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 1.3500000000000001 110.382 179.595 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.8 mt-10 -84.38 -34.33 23.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.921 -0.581 . . . . 2.0699999999999998 110.978 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.0 mt -65.24 -33.03 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 1.54 110.768 179.946 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.64 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 1.24 111.251 -179.784 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -54.31 -46.5 72.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 1.79 110.879 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.0 mt -65.4 -50.24 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 1.23 110.95 179.819 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -53.16 -42.3 66.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.1499999999999999 111.267 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.75 79.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 1.28 111.274 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -65.15 -36.78 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 2.1299999999999999 111.141 -179.851 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.483 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.8 OUTLIER -72.34 -46.21 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 3.5 110.915 -179.943 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -50.54 71.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 1.4399999999999999 111.285 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.414 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 12.1 ptt180 -54.08 -42.14 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 3.0099999999999998 110.607 -179.85 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 7.5 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 1.96 110.48 179.002 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.029 0.443 . . . . 1.9399999999999999 111.083 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.34 -39.32 25.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.009 -0.541 . . . . 2.79 110.538 179.872 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.28 -37.69 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 2.79 110.746 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.424 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 13.9 pt -69.0 -46.52 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 1.7 111.448 179.981 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -49.87 -33.87 18.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.498 0.665 . . . . 1.51 110.198 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -50.46 50.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.323 -0.853 . . . . 1.4399999999999999 109.888 179.183 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.508 ' O ' HG13 ' B' ' 17' ' ' ILE . 46.5 mt -58.4 -47.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 1.22 110.381 179.278 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.19 -35.84 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.3200000000000001 111.234 179.845 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -28.89 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 1.4199999999999999 110.376 179.666 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -86.18 -34.49 20.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.895 -0.593 . . . . 2.0299999999999998 111.322 -179.61 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -63.51 -31.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 1.6000000000000001 110.631 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -40.53 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 1.2 111.257 -179.78 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.37 -44.1 68.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 1.5800000000000001 110.958 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.3 mt -68.13 -53.11 27.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.26 110.981 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -50.46 -33.16 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 2.3599999999999999 111.332 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.31 76.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.1899999999999999 111.151 -179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.71 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 1.98 111.197 -179.865 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -44.49 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 2.79 111.259 -179.787 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -53.98 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.3400000000000001 111.295 -179.633 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -49.58 -44.16 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 3.3999999999999999 110.485 -179.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 5.7 mp -63.74 -37.66 88.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 2.0299999999999998 110.165 179.303 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 t -62.15 -45.8 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.957 0.408 . . . . 1.3700000000000001 110.413 179.359 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.8 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 2.54 109.698 179.031 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.83 -32.12 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 2.7599999999999998 110.249 179.151 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 22.1 p-80 . . . . . 0 C--O 1.232 0.153 0 CA-C-N 116.287 -0.415 . . . . 3.8700000000000001 111.036 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.824 0.345 . . . . 7.7800000000000002 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.06 -35.01 4.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 4.7000000000000002 112.497 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.39 -77.9 1.02 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 3.6800000000000002 112.557 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -137.53 13.67 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.698 0.285 . . . . 3.1000000000000001 111.445 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -52.0 -28.54 17.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 1.8500000000000001 109.947 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.487 HG23 ' CE1' ' B' ' 31' ' ' HIS . 28.4 mt -83.55 -44.81 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 1.5800000000000001 110.231 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' HA ' HG12 ' A' ' 10' ' ' ILE . 17.7 tt0 -54.98 -28.34 50.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.512 -0.767 . . . . 2.1699999999999999 110.74 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -76.97 -41.93 41.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 2.8100000000000001 110.319 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -62.49 -38.96 91.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.669 -0.696 . . . . 2.6400000000000001 110.671 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.7 pt -70.81 -43.47 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 1.2 111.233 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.64 -33.99 16.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.478 0.656 . . . . 1.5700000000000001 109.825 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.57 71.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.195 -0.911 . . . . 1.72 109.114 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' HG13 ' A' ' 17' ' ' ILE . 29.4 mt -59.85 -47.03 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.353 -0.839 . . . . 1.1299999999999999 110.193 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.6 -32.56 8.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 1.24 111.113 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -28.82 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.84999999999999998 110.191 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.2 mt-10 -84.98 -34.32 22.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.843 -0.617 . . . . 2.04 111.127 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -64.53 -33.24 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 1.1200000000000001 110.682 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.41 -38.34 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 1.1299999999999999 111.235 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -44.57 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.394 . . . . 1.54 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 11.1 mt -67.28 -51.84 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.1499999999999999 110.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.65 -33.92 35.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 2.2200000000000002 111.286 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.97 71.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 1.24 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -33.37 74.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 2.48 111.091 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -71.72 -46.99 56.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.52 111.3 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -55.54 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 1.1699999999999999 111.195 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -43.72 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 3.2200000000000002 110.333 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 0.7 OUTLIER -63.44 -36.65 84.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 1.9199999999999999 110.064 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.8 t -62.78 -44.33 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 120.998 0.428 . . . . 1.3200000000000001 110.069 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -33.23 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 2.3500000000000001 109.468 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -68.88 -31.88 71.13 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.493 -0.776 . . . . 2.6800000000000002 110.217 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 22.3 p-80 -139.52 73.9 34.97 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.239 -0.437 . . . . 1.8799999999999999 110.999 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.3 -27.39 28.73 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.556 2.171 . . . . 1.51 112.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 4.4299999999999997 110.895 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.815 0.34 . . . . 7.5300000000000002 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.43 76.98 0.12 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 4.3600000000000003 112.477 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.48 -72.47 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 3.3999999999999999 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -135.59 12.64 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.719 0.295 . . . . 2.7200000000000002 111.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -28.59 16.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 2.0 109.908 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.469 HG21 ' CE1' ' A' ' 31' ' ' HIS . 26.2 mt -81.24 -44.97 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.318 -0.855 . . . . 1.6100000000000001 110.24 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.54 -27.86 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.465 -0.788 . . . . 1.8799999999999999 110.82 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -76.8 -43.44 36.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 3.0899999999999999 110.301 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -61.22 -39.61 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 2.6899999999999999 110.732 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.408 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 18.8 pt -69.78 -43.48 79.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 1.1599999999999999 111.226 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.22 -34.14 14.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.452 0.644 . . . . 1.6299999999999999 109.878 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.43 -47.77 72.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.261 -0.881 . . . . 1.6799999999999999 109.052 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.1 mt -59.44 -46.5 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.287 -0.869 . . . . 1.1399999999999999 110.16 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -48.48 -33.09 8.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 1.1799999999999999 111.055 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.66 60.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.81000000000000005 110.195 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -85.42 -34.6 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 2.0299999999999998 111.206 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.8 mt -64.07 -32.74 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 1.1299999999999999 110.697 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 -39.6 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 1.1100000000000001 111.222 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.81 -43.37 69.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 1.5700000000000001 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.1 mt -68.41 -52.29 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.2 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -52.26 -33.37 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 2.2000000000000002 111.249 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.82 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 1.2 111.08 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -33.21 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 2.3300000000000001 111.156 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.493 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -70.18 -43.83 70.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.351 -0.386 . . . . 1.52 111.168 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -55.36 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.23 111.288 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.1 ptm180 -50.06 -42.54 50.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.132 0.492 . . . . 3.2599999999999998 110.45 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -63.83 -36.96 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.639 . . . . 2.0600000000000001 110.003 179.094 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.58 -44.06 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 116.178 -0.464 . . . . 1.4299999999999999 110.04 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -32.17 33.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 2.2400000000000002 109.495 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.08 -31.81 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.509 -0.769 . . . . 2.5299999999999998 110.24 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.487 ' CE1' HG23 ' A' ' 6' ' ' ILE . 20.7 p-80 -139.95 70.54 35.72 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.284 -0.416 . . . . 1.6000000000000001 111.007 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.15 -27.4 29.44 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.564 2.176 . . . . 1.4199999999999999 112.365 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 4.6500000000000004 110.921 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.803 0.335 . . . . 5.2000000000000002 111.226 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.06 39.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 3.3799999999999999 112.486 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.96 -119.05 2.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.838 -0.696 . . . . 2.2799999999999998 112.466 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.29 14.1 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.664 0.269 . . . . 2.71 111.374 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -52.79 -28.72 23.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.187 0.518 . . . . 2.6600000000000001 110.08 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.482 HG21 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -80.22 -44.46 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 2.3300000000000001 110.329 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.75 -26.51 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 2.1499999999999999 110.774 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -79.92 -43.38 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 2.7799999999999998 110.361 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -36.21 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.654 -0.703 . . . . 2.8799999999999999 110.768 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -70.49 -43.16 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 1.5600000000000001 111.132 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -49.14 -34.42 14.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.395 0.617 . . . . 1.48 109.804 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.27 -47.73 69.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.299 -0.864 . . . . 1.4099999999999999 109.584 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 17' ' ' ILE . 42.2 mt -60.94 -47.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.657 -0.701 . . . . 1.1599999999999999 110.372 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 2.7 t0 -48.25 -32.65 7.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.085 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -76.03 -28.83 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 1.3500000000000001 110.359 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.45 -33.8 23.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.988 -0.551 . . . . 2.0699999999999998 110.885 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.8 mt -64.6 -33.96 66.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.952 -0.567 . . . . 1.54 110.727 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.55 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.814 -0.63 . . . . 1.24 111.167 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.17 -44.36 71.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 1.79 110.997 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.1 mt -68.83 -50.31 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 1.23 111.003 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.62 -33.73 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 2.1499999999999999 111.133 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.47 66.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 1.28 111.124 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -70.89 -32.9 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 2.1299999999999999 111.057 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -72.24 -42.7 65.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 3.5 111.062 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -54.48 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 1.4399999999999999 111.231 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -48.72 -43.18 37.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 3.0099999999999998 110.504 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER -63.7 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 1.96 110.075 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 39.8 t -61.52 -44.83 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.136 -0.484 . . . . 1.3400000000000001 110.246 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.03 -33.62 39.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 2.5899999999999999 109.605 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -31.87 71.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.726 . . . . 2.6800000000000002 110.248 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 20.7 p-80 -137.79 81.22 29.03 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-N 116.287 -0.415 . . . . 3.0699999999999998 110.945 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -68.85 166.88 24.83 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 2.23 112.3 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 6.25 110.947 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 91.9 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.761 0.315 . . . . 5.7999999999999998 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.43 27.85 5.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.777 . . . . 3.3500000000000001 112.508 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.97 -105.64 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 1.99 112.476 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.87 13.79 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.677 0.275 . . . . 2.5899999999999999 111.328 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -52.38 -29.35 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.241 0.543 . . . . 2.2200000000000002 110.117 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.463 ' CG2' ' CE1' ' A' ' 31' ' ' HIS . 2.6 mt -79.83 -44.4 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.45 -0.795 . . . . 2.1200000000000001 110.226 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.5 -27.07 56.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 1.9399999999999999 110.729 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -79.02 -43.7 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.138 0.494 . . . . 2.79 110.151 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 2.79 110.69 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.57 -42.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 1.7 111.021 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.04 -34.87 10.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.403 0.62 . . . . 1.51 109.791 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.05 -48.26 68.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.851 . . . . 1.4399999999999999 109.446 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' B' ' 17' ' ' ILE . 31.1 mt -59.82 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.597 -0.729 . . . . 1.22 110.371 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.68 -32.41 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.3200000000000001 110.93 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.4199999999999999 110.309 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.4 mt-10 -85.32 -35.02 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 2.0299999999999998 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -63.39 -33.18 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.6000000000000001 110.721 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -36.76 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.768 -0.651 . . . . 1.2 111.152 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.15 -45.35 71.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.941 0.401 . . . . 1.5800000000000001 110.811 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.5 mt -68.46 -50.5 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.26 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -52.24 -31.29 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 2.3599999999999999 111.074 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.78 -33.75 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 1.1899999999999999 111.068 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -33.01 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 1.98 110.956 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.76 -40.9 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 2.79 111.042 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -55.52 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 1.3400000000000001 111.372 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -48.72 -42.72 36.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.07 0.462 . . . . 3.3999999999999999 110.517 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.429 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -62.94 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.629 . . . . 2.0299999999999998 109.949 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -61.47 -44.82 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.074 -0.512 . . . . 1.3700000000000001 110.128 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -31.54 35.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 2.54 109.713 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.569 -0.742 . . . . 2.7599999999999998 110.307 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.482 ' CE1' HG21 ' A' ' 6' ' ' ILE . 23.3 p-80 -140.23 70.99 33.85 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.296 -0.411 . . . . 3.8700000000000001 111.02 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.76 -27.67 14.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.537 2.158 . . . . 2.5699999999999998 112.317 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.224 -0.894 . . . . 6.4699999999999998 110.884 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.82 0.343 . . . . 5.2000000000000002 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.81 117.87 13.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 3.3799999999999999 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.51 -76.45 1.32 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 2.2799999999999998 112.515 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -103.35 15.2 29.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 2.71 111.352 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -29.52 27.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.151 0.5 . . . . 2.6600000000000001 110.057 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.48 HG23 ' CE1' ' B' ' 31' ' ' HIS . 26.5 mt -82.24 -44.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 2.3300000000000001 110.263 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -26.25 36.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.641 -0.709 . . . . 2.1499999999999999 110.722 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -43.67 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 2.7799999999999998 110.156 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -60.83 -43.18 98.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 2.8799999999999999 110.699 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 13.9 pt -67.15 -42.5 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 1.5600000000000001 111.058 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.18 -35.17 11.22 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.886 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -47.09 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.36 -0.836 . . . . 1.4099999999999999 109.504 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.3 mt -61.34 -47.72 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 1.1599999999999999 110.314 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -47.96 -31.8 5.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.025 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.9 -29.24 55.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 1.3500000000000001 110.449 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.5 mm-40 -84.53 -33.33 23.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 2.0699999999999998 110.937 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.9 mt -64.71 -36.3 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 1.54 110.66 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.06 -34.91 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.691 -0.686 . . . . 1.24 111.277 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -47.95 73.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.79 110.737 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.0 mt -64.01 -51.68 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 1.23 110.838 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -49.03 -30.37 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.474 . . . . 2.1499999999999999 111.044 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.85 67.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 1.28 111.004 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.19 -33.23 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 2.1299999999999999 111.054 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -71.63 -43.11 66.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 3.5 111.129 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -54.73 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 1.4399999999999999 111.253 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -49.21 -44.98 43.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 3.0099999999999998 110.407 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mp -60.86 -38.21 84.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.763 -0.653 . . . . 1.96 109.899 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.12 -45.0 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 116.117 -0.492 . . . . 1.3400000000000001 110.168 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -52.45 -27.7 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.783 -0.644 . . . . 2.5899999999999999 109.92 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -76.8 -30.7 56.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.701 -0.681 . . . . 2.6800000000000002 110.443 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' CE1' HG21 ' B' ' 6' ' ' ILE . 21.4 p-80 -138.34 59.92 19.57 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.44 -0.346 . . . . 3.0699999999999998 111.083 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.42 -30.82 1.83 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.615 2.21 . . . . 2.23 112.381 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 6.25 110.925 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 5.7999999999999998 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.66 164.13 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 3.3500000000000001 112.515 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.69 -93.81 0.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 1.99 112.504 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -93.38 14.27 19.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 2.5899999999999999 111.381 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -52.91 -28.72 24.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.173 0.511 . . . . 2.2200000000000002 110.087 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.472 HG21 ' CE1' ' A' ' 31' ' ' HIS . 22.7 mt -79.32 -44.85 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.459 -0.791 . . . . 2.1200000000000001 110.282 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.37 -29.37 58.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.626 -0.715 . . . . 1.9399999999999999 110.722 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.43 -43.2 27.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 2.79 110.114 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -60.57 -36.51 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.567 -0.742 . . . . 2.79 110.815 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.1 pt -70.69 -43.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 1.7 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.51 -34.47 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.404 0.621 . . . . 1.51 109.817 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -47.01 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.273 -0.876 . . . . 1.4399999999999999 109.515 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.466 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.4 mt -61.0 -48.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 1.22 110.372 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 3.3 t0 -48.41 -31.82 6.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 1.3200000000000001 110.97 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.38 -28.38 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 1.4199999999999999 110.393 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 2.0299999999999998 110.944 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.9 mt -64.17 -34.63 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 1.6000000000000001 110.647 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.82 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.693 -0.685 . . . . 1.2 111.285 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.33 -43.48 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 1.5800000000000001 110.848 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.2 mt -69.6 -49.74 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 1.26 110.85 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.18 -34.69 32.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 2.3599999999999999 111.121 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.27 73.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 1.1899999999999999 111.035 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -32.96 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.98 111.056 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -42.96 61.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.79 111.101 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -53.66 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.3400000000000001 111.209 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -49.85 -44.93 49.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.139 0.495 . . . . 3.3999999999999999 110.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.413 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 mt -61.57 -37.31 83.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 2.0299999999999998 110.0 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 26.2 t -64.82 -43.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 1.3700000000000001 110.091 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -52.99 -28.52 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 2.54 109.855 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -76.49 -31.16 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.7599999999999998 110.497 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.48 ' CE1' HG23 ' A' ' 6' ' ' ILE . 25.1 p-80 -138.58 60.93 21.82 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 120.9 0.381 . . . . 3.8700000000000001 110.994 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.22 -30.76 5.22 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.656 2.237 . . . . 2.5699999999999998 112.362 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.234 -0.889 . . . . 6.4699999999999998 110.887 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 5.2000000000000002 111.186 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.41 -137.52 2.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 3.3799999999999999 112.485 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.48 -166.17 17.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 2.2799999999999998 112.503 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -93.68 14.5 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 2.71 111.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -27.44 27.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.25 0.548 . . . . 2.6600000000000001 110.012 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' B' ' 31' ' ' HIS . 21.4 mt -81.32 -44.75 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.463 -0.79 . . . . 2.3300000000000001 110.345 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -56.41 -28.74 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.569 -0.741 . . . . 2.1499999999999999 110.809 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -74.71 -40.35 61.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.111 0.482 . . . . 2.7799999999999998 110.195 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -60.69 -40.0 90.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 2.8799999999999999 110.89 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.6 pt -70.06 -43.18 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 1.5600000000000001 111.097 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -47.99 -34.41 9.26 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.389 0.614 . . . . 1.48 109.998 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -68.22 -48.29 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.324 -0.853 . . . . 1.4099999999999999 109.597 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.2 mt -59.93 -48.05 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.692 -0.685 . . . . 1.1599999999999999 110.287 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.83 -32.82 9.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.223 -0.444 . . . . 1.29 111.136 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.87 -28.15 60.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.3500000000000001 110.288 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 mm-40 -85.7 -35.81 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 2.0699999999999998 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -62.54 -32.25 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 1.54 110.64 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.62 -37.16 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 1.24 111.082 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -54.18 -43.89 71.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.948 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.3 mt -70.33 -51.52 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.23 110.983 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -32.68 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 2.1499999999999999 111.144 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.98 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.28 111.225 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -35.48 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 2.1299999999999999 111.032 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -44.71 81.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 3.5 111.136 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -55.36 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 1.4399999999999999 111.239 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -48.8 -42.28 35.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.084 0.469 . . . . 3.0099999999999998 110.435 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mt -63.51 -38.64 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 1.96 109.938 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -63.6 -44.77 98.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 1.3400000000000001 110.108 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -52.71 -29.0 24.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 2.5899999999999999 109.887 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -74.12 -31.65 62.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.662 -0.699 . . . . 2.6800000000000002 110.321 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.483 ' CE1' HG21 ' B' ' 6' ' ' ILE . 23.4 p-80 -138.94 66.05 38.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.346 -0.388 . . . . 3.0699999999999998 111.061 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.3 -28.75 12.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.509 2.139 . . . . 2.23 112.346 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 6.25 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 5.7999999999999998 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.27 55.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 3.3500000000000001 112.539 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.21 -133.47 16.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 1.99 112.535 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.42 12.89 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.295 . . . . 2.5899999999999999 111.419 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.61 -28.13 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.143 0.497 . . . . 2.2200000000000002 110.154 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.483 HG21 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mt -79.88 -43.91 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.446 -0.797 . . . . 2.1200000000000001 110.394 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -31.28 65.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 1.9399999999999999 110.82 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.23 -41.79 39.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.163 -0.472 . . . . 2.79 110.335 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.51 80.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 2.79 110.817 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.417 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.3 pt -71.89 -43.87 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 1.7 111.223 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.0 m-20 -49.0 -34.66 13.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.392 0.615 . . . . 1.51 109.88 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -67.6 -46.79 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.4399999999999999 109.521 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 17' ' ' ILE . 47.8 mt -61.2 -47.73 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 1.22 110.29 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -47.89 -33.13 7.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.273 -0.421 . . . . 1.3200000000000001 111.182 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -75.81 -28.91 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.4199999999999999 110.418 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.64 -33.84 23.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 2.0299999999999998 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.7 mt -64.07 -34.31 67.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 1.6000000000000001 110.649 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 -37.66 43.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.756 -0.657 . . . . 1.2 111.252 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -45.13 73.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.883 0.373 . . . . 1.5800000000000001 111.09 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.6 mt -67.13 -52.99 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.26 111.104 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -33.47 14.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.243 -0.435 . . . . 2.3599999999999999 111.225 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -33.5 66.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 1.1899999999999999 111.137 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -70.89 -32.83 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 1.98 111.123 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.74 -42.17 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 2.79 111.236 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -54.17 39.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 1.3400000000000001 111.339 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -49.66 -44.18 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 3.3999999999999999 110.476 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.69 -36.52 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 2.0299999999999998 110.109 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.7 t -63.71 -43.2 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 1.3700000000000001 110.133 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.69 -33.16 46.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 2.54 109.65 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.79 -31.7 69.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.577 -0.738 . . . . 2.7599999999999998 110.199 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.486 ' CE1' HG21 ' A' ' 6' ' ' ILE . 33.2 p-80 -142.17 72.44 22.4 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 3.8700000000000001 110.971 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.35 -28.6 27.04 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.202 . . . . 2.5699999999999998 112.259 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.18 -0.914 . . . . 6.4699999999999998 110.898 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.789 0.328 . . . . 5.2000000000000002 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.75 141.6 6.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.73 -0.748 . . . . 3.3799999999999999 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.34 -121.49 0.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 2.2799999999999998 112.434 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.82 12.98 21.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 2.71 111.356 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.69 -28.14 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 2.6600000000000001 110.074 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' B' ' 31' ' ' HIS . 26.5 mt -79.87 -44.59 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.417 -0.811 . . . . 2.3300000000000001 110.352 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -56.83 -29.02 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.722 . . . . 2.1499999999999999 110.803 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -42.29 21.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.187 0.518 . . . . 2.7799999999999998 110.149 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.23 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.601 -0.727 . . . . 2.8799999999999999 110.765 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.2 pt -71.84 -43.53 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 1.5600000000000001 111.049 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 10' ' ' ILE . 14.0 t70 -48.7 -34.62 12.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.354 0.597 . . . . 1.48 109.748 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.97 -49.36 65.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.356 -0.838 . . . . 1.4099999999999999 109.641 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 17' ' ' ILE . 42.9 mt -59.67 -47.29 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 1.1599999999999999 110.406 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -48.43 -32.87 8.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.002 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.66 -28.41 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 1.3500000000000001 110.381 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.7 mt-10 -84.59 -33.85 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 2.0699999999999998 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.0 mt -64.31 -33.9 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 1.54 110.663 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.35 -37.08 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 1.24 111.356 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.98 -43.94 70.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.946 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CB ' HG12 ' B' ' 17' ' ' ILE . 9.6 mt -69.04 -50.76 45.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 1.23 110.937 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.26 -34.65 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 2.1499999999999999 111.089 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.66 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.28 111.019 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -69.46 -32.48 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 2.1299999999999999 111.135 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.4 OUTLIER -71.12 -47.09 59.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 3.5 111.284 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -55.73 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 1.4399999999999999 111.294 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -43.45 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.069 0.462 . . . . 3.0099999999999998 110.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 1.6 mt -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 1.96 109.956 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 38.1 t -62.08 -45.02 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.474 . . . . 1.3400000000000001 110.193 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -30.96 26.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.878 -0.601 . . . . 2.5899999999999999 109.752 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -71.56 -32.17 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 2.6800000000000002 110.292 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CE1' HG21 ' B' ' 6' ' ' ILE . 33.2 p-80 -135.64 70.3 65.98 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.315 -0.402 . . . . 3.0699999999999998 110.992 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.15 -30.13 4.54 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.603 2.202 . . . . 2.23 112.279 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 6.25 110.839 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.895 0.379 . . . . 5.7999999999999998 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.68 124.75 37.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.626 -0.797 . . . . 3.3500000000000001 112.575 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.75 86.75 1.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 1.99 112.507 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 62.3 17.65 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.744 0.307 . . . . 2.5899999999999999 111.366 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -28.93 47.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.189 0.518 . . . . 2.2200000000000002 110.128 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.474 HG21 ' CE1' ' A' ' 31' ' ' HIS . 22.5 mt -80.77 -45.05 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.491 -0.777 . . . . 2.1200000000000001 110.298 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.07 -26.66 39.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 1.9399999999999999 110.757 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -78.1 -41.28 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 2.79 110.318 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.74 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.718 -0.673 . . . . 2.79 110.706 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 pt -68.93 -43.28 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 1.7 111.052 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -49.95 -34.7 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 1.51 109.738 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.05 -45.34 81.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.354 -0.839 . . . . 1.4399999999999999 109.099 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' B' ' 17' ' ' ILE . 34.3 mt -61.05 -45.68 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.327 -0.851 . . . . 1.22 109.956 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -48.68 -32.57 8.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.319 -0.4 . . . . 1.3200000000000001 110.875 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.53 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 1.4199999999999999 110.362 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mt-10 -85.06 -33.87 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 2.0299999999999998 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -64.24 -34.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 1.6000000000000001 110.683 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -36.2 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.686 -0.688 . . . . 1.2 111.157 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.73 -44.96 73.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.5800000000000001 110.895 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 6.5 mt -67.69 -50.71 56.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 1.26 110.912 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -51.71 -30.62 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 2.3599999999999999 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -34.0 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 1.1899999999999999 110.908 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -34.83 75.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 1.98 110.875 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -42.23 74.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 2.79 110.887 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -55.28 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 1.3400000000000001 111.259 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -48.74 -42.79 36.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.105 0.479 . . . . 3.3999999999999999 110.46 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 5.0 mp -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 2.0299999999999998 110.001 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 41.4 t -61.2 -43.45 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 116.14 -0.482 . . . . 1.3700000000000001 110.27 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.03 -33.58 52.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.8 -0.637 . . . . 2.54 109.602 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.31 -31.32 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.734 . . . . 2.7599999999999998 110.208 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.471 ' CE1' HG22 ' A' ' 6' ' ' ILE . 19.4 p-80 -138.36 82.11 23.9 Favored Pre-proline 0 C--N 1.333 -0.129 0 CA-C-N 116.322 -0.399 . . . . 3.8700000000000001 111.01 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.81 -9.72 26.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.609 2.206 . . . . 2.5699999999999998 112.667 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.192 -0.908 . . . . 6.4699999999999998 110.981 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.854 0.359 . . . . 5.2000000000000002 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.83 81.73 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 3.3799999999999999 112.544 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.43 -99.2 2.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 2.2799999999999998 112.518 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -108.54 14.33 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 2.71 111.458 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -52.16 -29.52 22.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.176 0.512 . . . . 2.6600000000000001 110.105 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.465 HG21 ' CE1' ' B' ' 31' ' ' HIS . 27.5 mt -82.66 -43.83 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.362 -0.835 . . . . 2.3300000000000001 110.316 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.4 -25.98 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.651 -0.704 . . . . 2.1499999999999999 110.793 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.48 -44.55 43.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 2.7799999999999998 110.201 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -43.87 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.76 -0.654 . . . . 2.8799999999999999 110.74 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 14.1 pt -67.29 -42.69 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 1.5600000000000001 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.34 -35.65 8.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.413 0.625 . . . . 1.48 109.909 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.61 -48.65 68.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 1.4099999999999999 109.489 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 17' ' ' ILE . 28.3 mt -60.08 -46.92 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 1.1599999999999999 110.376 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.14 -32.85 7.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.287 -0.415 . . . . 1.29 111.045 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -29.17 59.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.3500000000000001 110.27 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.6 mt-10 -84.69 -33.72 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 2.0699999999999998 110.982 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.8 mt -64.88 -32.95 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 1.54 110.762 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.79 35.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 1.24 111.357 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.35 -45.05 69.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.958 0.409 . . . . 1.79 110.904 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.4 mt -68.3 -49.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 1.23 110.889 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.74 -37.31 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 2.1499999999999999 111.108 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.31 -35.02 77.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.28 110.852 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -65.37 -33.11 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 2.1299999999999999 111.073 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -73.37 -46.93 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 3.5 111.176 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -52.12 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 1.4399999999999999 111.332 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -51.72 -47.58 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 3.0099999999999998 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 6.6 mp -60.8 -35.05 75.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 1.96 110.043 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -66.07 -43.89 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.265 -0.425 . . . . 1.3400000000000001 110.149 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -51.03 -30.24 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.894 -0.594 . . . . 2.5899999999999999 109.91 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -75.73 -32.89 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.604 -0.726 . . . . 2.6800000000000002 110.446 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' B' ' 6' ' ' ILE . 19.0 p-80 -137.93 61.68 29.7 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.377 -0.374 . . . . 3.0699999999999998 111.048 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.75 -31.18 8.71 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.577 2.184 . . . . 2.23 112.369 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 6.25 110.89 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 5.7999999999999998 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.01 168.27 15.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.76 . . . . 3.3500000000000001 112.475 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.16 29.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 1.99 112.473 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.2 17.6 9.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.72 0.295 . . . . 2.5899999999999999 111.392 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.25 -29.84 48.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.189 0.519 . . . . 2.2200000000000002 110.007 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.6 mp -77.24 -46.56 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.423 -0.808 . . . . 2.1200000000000001 110.294 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -29.69 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 1.9399999999999999 110.794 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -76.75 -41.69 43.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 2.79 110.262 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -61.75 -40.72 96.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 2.79 110.684 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.424 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.4 pt -69.53 -43.04 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 1.7 111.152 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.8 -34.91 13.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.386 0.612 . . . . 1.51 109.985 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.0 -47.73 70.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.309 -0.86 . . . . 1.4399999999999999 109.398 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' B' ' 17' ' ' ILE . 24.1 mt -60.04 -46.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.463 -0.79 . . . . 1.22 110.162 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -48.71 -32.53 8.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 1.3200000000000001 111.009 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -28.78 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.4199999999999999 110.304 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 13' ' ' ILE . 4.0 mm-40 -85.03 -33.9 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 2.0299999999999998 111.009 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -65.2 -32.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.6000000000000001 110.773 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.33 -37.31 32.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 1.2 111.25 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.49 -43.74 68.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.3 mt -70.13 -49.94 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 1.26 110.969 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -37.68 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 111.159 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.31 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 1.1899999999999999 111.196 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -70.26 -32.46 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.98 111.02 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -72.42 -43.99 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 2.79 111.088 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -53.89 48.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.395 . . . . 1.3400000000000001 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -48.96 -43.67 40.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.089 0.471 . . . . 3.3999999999999999 110.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 1.2 mt -63.55 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.779 -0.646 . . . . 2.0299999999999998 110.126 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 t -63.81 -44.06 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.181 -0.463 . . . . 1.3700000000000001 110.249 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -31.52 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 2.54 109.807 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -71.37 -32.17 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.634 -0.712 . . . . 2.7599999999999998 110.285 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 22.9 p-80 -137.12 71.25 55.25 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.278 -0.419 . . . . 3.8700000000000001 111.004 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.58 -27.25 32.91 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.55 2.167 . . . . 2.5699999999999998 112.353 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.17 -0.919 . . . . 6.4699999999999998 110.879 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.908 0.385 . . . . 5.2000000000000002 111.166 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.59 177.48 21.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 3.3799999999999999 112.511 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.41 -145.45 18.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 2.2799999999999998 112.505 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -92.78 13.87 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.7 0.286 . . . . 2.71 111.377 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.09 -28.32 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 2.6600000000000001 110.018 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.486 HG23 ' CE1' ' B' ' 31' ' ' HIS . 24.6 mt -79.18 -44.99 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.388 -0.824 . . . . 2.3300000000000001 110.197 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -55.26 -26.19 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.616 -0.72 . . . . 2.1499999999999999 110.718 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -78.45 -40.83 34.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 2.7799999999999998 110.132 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -61.74 -38.97 89.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.698 -0.683 . . . . 2.8799999999999999 110.777 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.0 pt -69.45 -43.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.5600000000000001 111.06 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 -35.49 14.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.447 0.642 . . . . 1.48 109.658 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -66.67 -44.61 81.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.228 -0.897 . . . . 1.4099999999999999 109.101 178.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 17' ' ' ILE . 14.7 mt -60.9 -47.28 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 1.1599999999999999 110.139 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -48.51 -32.63 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.947 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -28.58 59.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.3500000000000001 110.335 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.5 mt-10 -85.31 -35.25 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 2.0699999999999998 110.981 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.9 mt -63.16 -33.23 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.542 . . . . 1.54 110.715 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -36.57 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.702 -0.681 . . . . 1.24 111.17 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -44.13 71.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 1.79 110.809 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.5 mt -69.21 -51.14 40.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.23 110.862 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.87 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 2.1499999999999999 111.098 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.81 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.28 110.936 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -35.54 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 2.1299999999999999 110.852 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -41.58 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 3.5 111.158 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -54.81 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 1.4399999999999999 111.411 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -49.36 -44.08 44.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.07 0.462 . . . . 3.0099999999999998 110.473 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.9 OUTLIER -61.11 -37.74 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.601 . . . . 1.96 109.866 179.02 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.99 -41.42 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.009 -0.541 . . . . 1.3400000000000001 110.099 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -29.67 31.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.716 -0.674 . . . . 2.5899999999999999 109.919 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.73 -31.33 57.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.66 -0.7 . . . . 2.6800000000000002 110.471 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CE1' HG22 ' B' ' 6' ' ' ILE . 18.7 p-80 -137.56 60.31 25.1 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-O 120.906 0.384 . . . . 3.0699999999999998 111.064 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.04 -30.73 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.699 2.266 . . . . 2.23 112.443 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 6.25 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.805 0.336 . . . . 5.7999999999999998 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.44 -75.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 3.3500000000000001 112.462 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.01 57.09 1.74 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.789 -0.72 . . . . 1.99 112.509 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.22 17.33 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 2.5899999999999999 111.456 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.78 -28.03 45.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 2.2200000000000002 110.088 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.474 HG22 ' CE1' ' A' ' 31' ' ' HIS . 22.7 mt -80.11 -45.88 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.516 -0.765 . . . . 2.1200000000000001 110.347 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.25 -30.07 59.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.726 -0.67 . . . . 1.9399999999999999 110.744 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -77.83 -42.57 33.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 2.79 110.127 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.97 -36.81 80.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 2.79 110.79 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.2 pt -71.25 -43.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 1.7 111.151 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -48.39 -34.75 11.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.348 0.594 . . . . 1.51 109.761 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -67.53 -47.49 69.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.3 -0.864 . . . . 1.4399999999999999 109.543 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.7 mt -60.47 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.22 110.345 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -48.54 -32.55 8.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.3200000000000001 111.019 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.62 -28.26 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.4199999999999999 110.389 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 5.8 mm-40 -85.08 -35.12 22.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 2.0299999999999998 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.2 mt -62.96 -34.53 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.6000000000000001 110.623 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.9 38.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.744 -0.662 . . . . 1.2 111.193 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.13 -41.68 68.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.5800000000000001 111.074 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 11.2 mt -70.91 -56.14 6.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 1.26 111.069 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -39.19 36.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 2.3599999999999999 111.12 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.51 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 1.1899999999999999 110.817 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -74.54 -33.18 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 1.98 110.926 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.419 ' HG2' ' HB ' ' A' ' 10' ' ' ILE . 19.5 ttt180 -72.33 -44.22 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 2.79 111.149 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -54.45 45.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 1.3400000000000001 110.829 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -49.84 -42.78 48.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 3.3999999999999999 110.335 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.423 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.0 mm? -63.49 -38.16 90.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.794 -0.639 . . . . 2.0299999999999998 109.888 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 24.0 t -64.18 -43.08 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 1.3700000000000001 110.339 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -52.83 -32.78 46.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 2.54 109.978 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -71.2 -32.03 68.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 2.7599999999999998 110.329 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.486 ' CE1' HG23 ' A' ' 6' ' ' ILE . 38.5 p-80 -133.97 71.93 73.07 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.905 0.383 . . . . 3.8700000000000001 111.092 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 -25.54 34.51 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.559 2.172 . . . . 2.5699999999999998 112.287 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 6.4699999999999998 110.941 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.816 0.341 . . . . 5.2000000000000002 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.38 20.6 8.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.821 -0.704 . . . . 3.3799999999999999 112.645 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.43 -90.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 2.2799999999999998 112.607 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -112.39 16.12 20.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.68 0.276 . . . . 2.71 111.315 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -52.22 -31.23 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.212 0.529 . . . . 2.6600000000000001 109.951 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.479 HG23 ' CE1' ' B' ' 31' ' ' HIS . 3.3 mp -82.62 -44.0 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.4 -0.818 . . . . 2.3300000000000001 110.174 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.58 -25.72 18.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.549 -0.75 . . . . 2.1499999999999999 110.667 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -75.55 -43.1 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 2.7799999999999998 110.086 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -43.96 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 2.8799999999999999 110.698 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 14.1 pt -66.61 -42.48 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.5600000000000001 110.911 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.65 -35.18 9.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.378 0.609 . . . . 1.48 109.879 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.82 -48.51 68.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.366 -0.834 . . . . 1.4099999999999999 109.61 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.473 ' O ' HG13 ' A' ' 17' ' ' ILE . 38.4 mt -60.17 -47.11 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.632 -0.713 . . . . 1.1599999999999999 110.335 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -48.73 -31.98 7.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 1.29 110.985 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.64 58.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.3500000000000001 110.334 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.32 -33.69 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 2.0699999999999998 110.966 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.9 mt -65.13 -33.57 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 1.54 110.593 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -36.52 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 1.24 111.218 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -53.28 -43.37 67.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 1.79 110.837 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.8 mt -70.33 -50.14 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 1.23 110.757 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.56 -34.99 52.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 2.1499999999999999 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.88 -33.09 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 1.28 110.898 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -36.42 81.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 2.1299999999999999 110.835 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -65.81 -46.85 77.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 3.5 111.067 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -55.56 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.4399999999999999 111.227 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -49.64 -43.56 46.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.101 0.476 . . . . 3.0099999999999998 110.432 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 3.1 mm? -62.13 -38.49 89.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 1.96 109.968 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.2 t -63.0 -43.68 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.107 -0.497 . . . . 1.3400000000000001 110.166 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -52.08 -30.85 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 2.5899999999999999 109.795 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -73.35 -31.51 64.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 2.6800000000000002 110.281 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.481 ' CE1' HG21 ' B' ' 6' ' ' ILE . 34.0 p-80 -137.32 65.91 50.8 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-N 116.313 -0.403 . . . . 3.0699999999999998 111.009 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.4 -26.09 1.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.693 2.262 . . . . 2.23 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 6.25 110.901 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 5.7999999999999998 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.18 -107.84 3.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 3.3500000000000001 112.545 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.72 -147.98 34.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 1.99 112.562 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.23 14.47 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 2.5899999999999999 111.367 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -53.26 -28.64 28.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.145 0.498 . . . . 2.2200000000000002 109.876 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.481 HG21 ' CE1' ' A' ' 31' ' ' HIS . 2.5 mp -79.03 -45.52 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.433 -0.803 . . . . 2.1200000000000001 110.265 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.84 -26.72 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.493 -0.776 . . . . 1.9399999999999999 110.686 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -39.25 29.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.11 0.481 . . . . 2.79 110.244 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -36.9 84.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 2.79 110.656 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 18.0 pt -70.11 -43.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.7 111.133 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -50.63 -34.82 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.429 0.633 . . . . 1.51 109.722 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -44.99 83.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.241 -0.89 . . . . 1.4399999999999999 109.201 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.495 ' O ' HG13 ' B' ' 17' ' ' ILE . 25.3 mt -61.9 -46.84 95.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.313 -0.858 . . . . 1.22 110.134 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 5.9 t0 -47.99 -31.46 5.35 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.277 -0.42 . . . . 1.3200000000000001 110.93 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -30.13 55.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 1.4199999999999999 110.493 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' B' ' 13' ' ' ILE . 16.9 mt-10 -83.9 -32.31 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.599 . . . . 2.0299999999999998 111.012 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.2 mt -65.71 -36.25 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 1.6000000000000001 110.718 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.36 55.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 1.2 111.356 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 1.5800000000000001 110.857 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 6.3 mt -63.8 -51.1 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 1.26 110.79 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -48.86 -30.58 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 2.3599999999999999 110.976 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.99 -36.85 67.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 1.1899999999999999 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -66.4 -31.89 72.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 1.98 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.22 -42.61 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 2.79 111.122 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -54.25 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 1.3400000000000001 111.32 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.9 -45.49 50.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.104 0.478 . . . . 3.3999999999999999 110.399 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.435 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 mt -60.38 -36.75 78.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.811 -0.632 . . . . 2.0299999999999998 110.077 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.1 t -65.14 -42.5 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.3700000000000001 110.108 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -52.78 -29.5 27.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.876 -0.602 . . . . 2.54 109.955 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.42 -31.08 57.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 2.7599999999999998 110.471 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.479 ' CE1' HG23 ' A' ' 6' ' ' ILE . 25.6 p-80 -139.14 61.27 20.18 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.946 0.403 . . . . 3.8700000000000001 111.08 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.93 -28.32 11.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.615 2.21 . . . . 2.5699999999999998 112.298 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.245 -0.883 . . . . 6.4699999999999998 110.88 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.797 0.332 . . . . 5.2000000000000002 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.98 170.61 14.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 3.3799999999999999 112.5 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.87 -85.65 1.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 2.2799999999999998 112.483 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 14.88 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.692 0.282 . . . . 2.71 111.244 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.56 -27.36 25.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.242 0.544 . . . . 2.6600000000000001 110.092 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.502 HG23 ' CE1' ' B' ' 31' ' ' HIS . 22.0 mt -81.37 -45.08 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.421 -0.809 . . . . 2.3300000000000001 110.259 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -57.19 -29.59 63.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 2.1499999999999999 110.801 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -79.81 -40.48 28.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 2.7799999999999998 110.119 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.14 -36.31 79.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 2.8799999999999999 110.732 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.6 pt -71.12 -43.21 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.383 -0.371 . . . . 1.5600000000000001 111.09 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.44 -34.34 16.39 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.372 0.606 . . . . 1.48 109.826 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.82 -45.85 73.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 1.4099999999999999 109.523 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 17' ' ' ILE . 30.6 mt -61.7 -47.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.551 -0.75 . . . . 1.1599999999999999 110.327 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 2.8 t0 -48.86 -32.4 8.8 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.3 -0.409 . . . . 1.29 111.003 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.97 -28.51 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 1.3500000000000001 110.357 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.4 mm-40 -84.06 -33.99 24.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 2.0699999999999998 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.7 mt -64.28 -34.84 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 1.54 110.743 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -35.86 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 1.24 111.436 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 1.79 110.78 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 8.9 mt -62.79 -52.97 61.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 1.23 110.945 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.48 -30.15 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 2.1499999999999999 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.09 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 1.28 110.935 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -67.83 -31.32 71.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 2.1299999999999999 111.17 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -71.97 -42.46 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 3.5 111.248 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.22 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 1.4399999999999999 111.464 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -39.09 26.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.037 0.446 . . . . 3.0099999999999998 110.645 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -67.16 -38.65 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 1.96 109.948 179.107 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.4 t -60.14 -45.81 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.131 -0.486 . . . . 1.3400000000000001 110.213 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 -34.9 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.882 -0.599 . . . . 2.5899999999999999 109.526 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -65.99 -30.63 71.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.529 -0.759 . . . . 2.6800000000000002 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.479 ' CE1' HG22 ' B' ' 6' ' ' ILE . 30.9 p-80 -141.46 88.29 9.93 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-N 116.339 -0.392 . . . . 3.0699999999999998 111.017 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.77 59.14 6.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.637 2.224 . . . . 2.23 112.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 6.25 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 5.7999999999999998 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.24 82.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 3.3500000000000001 112.461 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.81 -135.14 2.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 1.99 112.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -94.06 14.88 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.717 0.294 . . . . 2.5899999999999999 111.372 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.04 -29.35 29.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.248 0.547 . . . . 2.2200000000000002 110.089 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.479 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mt -78.74 -44.98 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.414 -0.812 . . . . 2.1200000000000001 110.238 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.06 -24.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.705 . . . . 1.9399999999999999 110.753 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -40.18 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 2.79 110.11 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -61.78 -36.92 82.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 2.79 110.803 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.28 -43.58 78.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.7 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.2 m-20 -49.71 -34.64 19.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.433 0.635 . . . . 1.51 109.804 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -45.57 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.301 -0.863 . . . . 1.4399999999999999 109.356 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.4 mt -61.16 -48.06 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.509 -0.769 . . . . 1.22 110.221 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -48.7 -31.62 7.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.242 -0.435 . . . . 1.3200000000000001 111.0 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -28.46 57.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.4199999999999999 110.357 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 6.4 mm-40 -85.54 -34.68 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.843 -0.617 . . . . 2.0299999999999998 110.967 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.6 mt -64.17 -33.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 1.6000000000000001 110.74 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.58 33.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.647 . . . . 1.2 111.16 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.8 -43.61 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.5800000000000001 110.839 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.8 mt -69.56 -51.05 39.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 1.26 110.837 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.12 -32.89 37.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 111.115 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.57 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.1899999999999999 110.904 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -36.46 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.98 111.03 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -43.71 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 2.79 111.027 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.34 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.3400000000000001 111.227 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -49.36 -44.07 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 3.3999999999999999 110.367 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 2.0299999999999998 109.937 179.146 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 27.9 t -64.53 -44.47 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.059 -0.519 . . . . 1.3700000000000001 110.106 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.39 -28.04 18.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.815 -0.629 . . . . 2.54 109.9 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -32.07 59.08 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.654 -0.703 . . . . 2.7599999999999998 110.421 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.502 ' CE1' HG23 ' A' ' 6' ' ' ILE . 33.6 p-80 -137.34 61.71 33.72 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.228 -0.442 . . . . 3.8700000000000001 111.083 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.48 -30.06 5.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.592 2.195 . . . . 2.5699999999999998 112.377 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.279 -0.867 . . . . 6.4699999999999998 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.847 0.356 . . . . 5.2000000000000002 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.43 44.17 2.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 3.3799999999999999 112.515 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.69 -145.75 44.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 2.2799999999999998 112.545 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -94.52 14.32 21.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.637 0.256 . . . . 2.71 111.362 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -52.23 -30.19 26.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 2.6600000000000001 110.141 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG22 ' CE1' ' B' ' 31' ' ' HIS . 4.2 mt -80.09 -43.59 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.495 -0.775 . . . . 2.3300000000000001 110.306 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.07 -25.93 47.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.63 -0.714 . . . . 2.1499999999999999 110.793 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.52 -44.95 40.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.14 0.495 . . . . 2.7799999999999998 110.201 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -59.95 -43.64 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 2.8799999999999999 110.841 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 14.0 pt -67.2 -42.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 1.5600000000000001 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -47.36 -35.5 8.27 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.4 0.619 . . . . 1.48 109.931 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -47.57 71.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.869 . . . . 1.4099999999999999 109.371 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.8 mt -60.25 -46.76 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.602 -0.726 . . . . 1.1599999999999999 110.305 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.28 -32.86 7.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.988 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.36 -29.09 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.3500000000000001 110.399 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.91 -33.46 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 2.0699999999999998 111.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -65.19 -32.67 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 1.54 110.704 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.44 -37.37 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 1.24 111.239 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.4 -45.01 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.96 0.409 . . . . 1.79 110.822 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.3 mt -68.62 -50.12 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 1.23 110.905 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -50.4 -36.85 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 2.1499999999999999 111.144 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 1.28 110.962 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.3 -33.28 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 2.1299999999999999 110.913 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -74.37 -46.96 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 3.5 111.162 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -54.08 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 1.4399999999999999 111.22 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -46.03 62.2 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 3.0099999999999998 110.353 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -61.15 -35.56 77.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.874 -0.603 . . . . 1.96 110.104 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.25 -43.51 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 1.3400000000000001 110.062 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -51.07 -31.71 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.888 -0.596 . . . . 2.5899999999999999 109.719 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -72.73 -34.16 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.57 -0.741 . . . . 2.6800000000000002 110.337 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' HG21 ' B' ' 6' ' ' ILE . 27.6 p-80 -137.26 67.28 54.13 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.221 -0.445 . . . . 3.0699999999999998 110.998 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.13 -27.76 9.54 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.535 2.157 . . . . 2.23 112.395 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 6.25 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.788 0.327 . . . . 5.7999999999999998 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.04 -168.11 31.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 3.3500000000000001 112.476 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.36 -135.0 11.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 1.99 112.526 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -104.39 14.87 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.308 . . . . 2.5899999999999999 111.424 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.02 -28.66 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 2.2200000000000002 110.077 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.477 HG21 ' CE1' ' A' ' 31' ' ' HIS . 22.0 mt -81.37 -44.68 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.435 -0.802 . . . . 2.1200000000000001 110.225 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -56.51 -23.48 39.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 1.9399999999999999 110.884 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.86 -44.01 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.106 0.479 . . . . 2.79 110.373 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -40.64 91.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.756 -0.657 . . . . 2.79 110.801 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.401 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 16.5 pt -68.03 -42.65 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.7 111.172 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -49.23 -34.92 16.08 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.364 0.602 . . . . 1.51 109.957 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -47.44 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.363 -0.835 . . . . 1.4399999999999999 109.201 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.484 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.0 mt -60.46 -46.29 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.412 -0.813 . . . . 1.22 110.152 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.33 -32.45 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 1.3200000000000001 110.955 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -29.45 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 1.4199999999999999 110.326 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' B' ' 13' ' ' ILE . 21.1 mt-10 -84.36 -33.99 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 2.0299999999999998 111.039 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.484 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -64.88 -33.58 64.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 1.6000000000000001 110.738 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.23 -37.16 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 1.2 111.26 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -43.98 69.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 1.5800000000000001 111.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.1 mt -69.59 -49.55 52.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 1.26 110.967 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.45 -38.94 60.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 2.3599999999999999 111.247 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.92 94.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 1.1899999999999999 111.213 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -33.99 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 1.98 111.089 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -72.09 -44.6 62.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 2.79 111.288 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -55.76 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 1.3400000000000001 111.266 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -41.38 28.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 3.3999999999999999 110.488 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.417 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 2.4 mt -65.59 -38.52 89.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.914 -0.585 . . . . 2.0299999999999998 110.024 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.52 -46.23 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.3700000000000001 110.254 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -52.1 -32.12 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 2.54 109.702 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.87 -32.21 71.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.64 -0.709 . . . . 2.7599999999999998 110.224 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.476 ' CE1' HG22 ' A' ' 6' ' ' ILE . 28.6 p-80 -136.99 74.13 50.95 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-N 116.225 -0.443 . . . . 3.8700000000000001 111.043 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.44 -27.64 22.99 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.538 2.159 . . . . 2.5699999999999998 112.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.287 -0.863 . . . . 6.4699999999999998 110.939 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.801 0.334 . . . . 5.2000000000000002 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.82 75.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 3.3799999999999999 112.47 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.01 -117.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 2.2799999999999998 112.54 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -112.8 15.79 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 2.71 111.358 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -53.23 -28.54 27.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 2.6600000000000001 110.116 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.1 mp -81.69 -44.96 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.502 -0.772 . . . . 2.3300000000000001 110.342 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -25.75 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 2.1499999999999999 110.821 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -78.95 -43.34 24.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.17 0.509 . . . . 2.7799999999999998 110.284 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -37.82 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 2.8799999999999999 110.665 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.3 pt -69.71 -43.16 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 1.5600000000000001 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -48.96 -34.97 14.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.399 0.619 . . . . 1.48 109.955 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.93 -47.66 71.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.38 -0.827 . . . . 1.4099999999999999 109.37 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.2 mt -60.2 -46.04 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.549 -0.751 . . . . 1.1599999999999999 110.23 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -48.38 -33.8 9.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 1.29 110.939 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.3500000000000001 110.364 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.7 mm-40 -84.86 -34.05 22.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 2.0699999999999998 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.6 mt -64.51 -32.56 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 1.54 110.683 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.67 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.732 -0.667 . . . . 1.24 111.276 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -54.1 -44.2 71.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.982 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 8.9 mt -68.87 -51.96 34.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 1.23 111.016 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -35.19 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 2.1499999999999999 111.121 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.13 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 1.28 111.077 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.58 -35.74 73.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 2.1299999999999999 111.071 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -41.47 74.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 3.5 111.178 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -55.23 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 1.4399999999999999 111.336 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -48.86 -41.56 33.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.01 0.433 . . . . 3.0099999999999998 110.605 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER -65.37 -38.22 89.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.566 . . . . 1.96 110.059 179.253 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -61.99 -45.32 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 116.139 -0.482 . . . . 1.3400000000000001 110.197 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -34.06 38.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 2.5899999999999999 109.695 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -67.6 -31.99 72.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.523 -0.762 . . . . 2.6800000000000002 110.16 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' HG21 ' B' ' 6' ' ' ILE . 21.9 p-80 -139.56 75.21 32.54 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.267 -0.424 . . . . 3.0699999999999998 111.001 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.71 -25.47 61.32 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.437 2.092 . . . . 2.23 112.442 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 6.25 110.919 179.888 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.853 0.358 . . . . 5.7999999999999998 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.93 -96.34 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.708 -0.758 . . . . 3.3500000000000001 112.517 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.48 -101.09 0.72 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 1.99 112.538 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.3 14.32 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 2.5899999999999999 111.353 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -28.18 24.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.215 0.531 . . . . 2.2200000000000002 110.117 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.469 HG21 ' CE1' ' A' ' 31' ' ' HIS . 25.2 mt -80.16 -44.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.439 -0.8 . . . . 2.1200000000000001 110.39 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.44 -29.87 62.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.572 -0.74 . . . . 1.9399999999999999 110.826 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -77.82 -41.52 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 2.79 110.259 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.68 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 2.79 110.783 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.62 -43.42 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 1.7 111.184 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.37 -34.53 10.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.398 0.618 . . . . 1.51 109.871 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -48.22 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.831 . . . . 1.4399999999999999 109.603 178.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' B' ' 17' ' ' ILE . 37.2 mt -60.57 -47.8 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.704 . . . . 1.22 110.374 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.9 t0 -48.31 -33.1 8.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 1.3200000000000001 111.02 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.37 -28.46 59.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 1.4199999999999999 110.349 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.84 -34.23 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 2.0299999999999998 110.889 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.8 mt -64.14 -33.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 1.6000000000000001 110.689 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -37.41 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.635 . . . . 1.2 111.232 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.82 -44.51 70.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 1.5800000000000001 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.9 mt -68.6 -50.66 49.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 1.26 111.01 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.14 -40.61 46.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 2.3599999999999999 111.231 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 1.1899999999999999 110.916 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -35.33 80.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 1.98 111.033 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.462 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -72.7 -44.79 61.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 2.79 111.278 -179.685 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -56.73 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 1.3400000000000001 111.349 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -42.83 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.121 0.486 . . . . 3.3999999999999999 110.487 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -63.26 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 2.0299999999999998 109.93 179.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 47.3 t -60.55 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 1.3700000000000001 110.198 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -33.79 43.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.936 -0.574 . . . . 2.54 109.623 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.83 -30.51 69.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.46 -0.791 . . . . 2.7599999999999998 110.308 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.486 ' CE1' HG22 ' A' ' 6' ' ' ILE . 24.5 p-80 -140.05 79.82 21.58 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.256 -0.429 . . . . 3.8700000000000001 110.903 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.31 -26.43 48.71 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.603 2.202 . . . . 2.5699999999999998 112.371 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.162 -0.923 . . . . 6.4699999999999998 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.784 0.326 . . . . 5.2000000000000002 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.17 160.35 46.03 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.753 -0.736 . . . . 3.3799999999999999 112.473 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.55 -107.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 2.2799999999999998 112.466 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.43 14.83 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.648 0.261 . . . . 2.71 111.283 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.4 -28.87 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.178 0.513 . . . . 2.6600000000000001 110.085 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 HG22 ' CE1' ' B' ' 31' ' ' HIS . 24.3 mt -79.4 -44.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.435 -0.802 . . . . 2.3300000000000001 110.283 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' HA ' HG12 ' A' ' 10' ' ' ILE . 4.8 tt0 -54.64 -27.48 39.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.657 -0.701 . . . . 2.1499999999999999 110.645 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -76.7 -41.56 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 2.7799999999999998 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.796 -0.638 . . . . 2.8799999999999999 110.778 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.3 pt -70.58 -43.32 77.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 1.5600000000000001 111.161 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -49.61 -34.6 18.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.425 0.631 . . . . 1.48 109.86 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.04 -46.36 74.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.243 -0.889 . . . . 1.4099999999999999 109.183 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.3 mt -60.03 -46.31 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.49 -0.777 . . . . 1.1599999999999999 110.096 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.62 -33.76 10.44 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.248 -0.433 . . . . 1.29 111.024 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.66 -28.3 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.3500000000000001 110.389 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.0 mt-10 -85.24 -34.36 21.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 2.0699999999999998 111.05 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.8 mt -64.02 -32.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 1.54 110.792 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -39.74 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.693 -0.685 . . . . 1.24 111.315 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.83 -42.75 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.79 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 10.1 mt -68.94 -54.23 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 1.23 111.046 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -51.98 -33.49 38.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 2.1499999999999999 111.264 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.74 63.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 1.28 111.226 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -35.42 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 2.1299999999999999 111.173 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.4 OUTLIER -66.77 -44.55 81.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 3.5 111.303 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -57.4 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 1.4399999999999999 111.175 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -39.5 25.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 3.0099999999999998 110.418 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 12.9 mt -66.63 -39.85 88.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.897 -0.592 . . . . 1.96 110.073 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 40.4 t -60.37 -47.51 92.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 1.3400000000000001 110.314 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -33.18 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 2.5899999999999999 109.658 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -66.86 -31.32 71.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.585 -0.734 . . . . 2.6800000000000002 110.271 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' CE1' HG21 ' B' ' 6' ' ' ILE . 24.0 p-80 -137.87 86.0 18.87 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.283 -0.417 . . . . 3.0699999999999998 111.045 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.75 -21.13 39.02 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.546 2.164 . . . . 2.23 112.435 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 6.25 110.947 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.806 0.336 . . . . 5.7999999999999998 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.09 -80.99 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 3.3500000000000001 112.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.51 -125.49 8.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 1.99 112.529 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -93.74 14.51 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 2.5899999999999999 111.383 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -52.86 -28.53 23.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.195 0.521 . . . . 2.2200000000000002 110.176 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -81.5 -43.92 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.485 -0.78 . . . . 2.1200000000000001 110.428 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.02 -30.64 62.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.673 -0.694 . . . . 1.9399999999999999 110.672 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.34 -40.53 43.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 2.79 110.286 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -63.04 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 2.79 110.692 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.418 HG13 ' N ' ' B' ' 11' ' ' ASP . 21.7 pt -71.02 -43.64 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.277 -0.42 . . . . 1.7 111.208 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t0 -50.28 -34.25 22.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.324 0.583 . . . . 1.51 109.882 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.381 -0.827 . . . . 1.4399999999999999 109.209 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.492 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.3 mt -60.99 -45.58 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.457 -0.792 . . . . 1.22 110.162 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -48.74 -33.59 10.53 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.278 -0.419 . . . . 1.3200000000000001 110.941 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -28.39 60.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 1.4199999999999999 110.398 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.28 -33.33 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.964 -0.562 . . . . 2.0299999999999998 111.068 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.2 mt -64.65 -33.26 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.153 0.501 . . . . 1.6000000000000001 110.719 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -38.04 34.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 1.2 111.2 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -43.67 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 1.5800000000000001 111.048 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 11.2 mt -68.53 -52.87 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.26 111.039 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -36.58 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 2.3599999999999999 111.163 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -28.55 63.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 1.1899999999999999 111.065 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.94 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.98 111.129 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.7 -45.46 71.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 2.79 111.263 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -55.3 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.3400000000000001 111.375 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.49 -45.01 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 3.3999999999999999 110.379 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -61.17 -38.19 85.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 2.0299999999999998 109.951 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.8 t -63.34 -44.83 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 116.205 -0.452 . . . . 1.3700000000000001 110.104 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -52.15 -28.1 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.54 109.856 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.83 -30.67 56.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.727 -0.669 . . . . 2.7599999999999998 110.502 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.485 ' CE1' HG22 ' A' ' 6' ' ' ILE . 31.4 p-80 -138.3 60.36 21.41 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-O 120.853 0.359 . . . . 3.8700000000000001 111.055 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.77 -32.18 2.13 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.674 2.249 . . . . 2.5699999999999998 112.367 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.242 -0.885 . . . . 6.4699999999999998 110.939 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.886 0.374 . . . . 5.2000000000000002 111.186 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.2 -78.49 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 3.3799999999999999 112.45 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.16 93.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.769 -0.729 . . . . 2.2799999999999998 112.231 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -158.86 -80.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.165 0.507 . . . . 2.71 110.963 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -144.67 -43.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.428 -0.805 . . . . 2.6600000000000001 109.35 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.48 HG21 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.32 -51.49 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 2.3300000000000001 109.558 178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.86 -33.73 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.188 -0.915 . . . . 2.1499999999999999 110.907 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.53 -34.64 47.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 2.7799999999999998 110.324 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.83 83.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.849 -0.614 . . . . 2.8799999999999999 110.807 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.0 pt -70.55 -43.15 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 1.5600000000000001 111.084 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.29 -34.73 10.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.39 0.614 . . . . 1.48 109.882 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -67.65 -48.18 67.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.328 -0.851 . . . . 1.4099999999999999 109.485 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.5 mt -59.68 -47.56 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 1.1599999999999999 110.342 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 1.8 t70 -48.46 -32.98 8.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.366 -0.379 . . . . 1.29 111.026 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.17 -28.3 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 1.3500000000000001 110.406 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.8 mt-10 -85.19 -35.06 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.0699999999999998 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.0 mt -63.0 -33.42 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 1.54 110.652 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -36.79 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 1.24 111.247 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -44.29 73.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.997 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.9 mt -69.32 -51.17 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.23 111.015 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -38.03 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 2.1499999999999999 111.21 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.92 72.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 1.28 111.222 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -33.63 69.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 2.1299999999999999 111.098 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ttt-85 -73.2 -43.91 60.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 3.5 111.158 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.43 65.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 1.4399999999999999 111.249 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -50.53 -45.86 56.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 3.0099999999999998 110.457 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.8 mm? -61.56 -36.41 80.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 1.96 109.966 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.0 t -65.61 -43.69 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 116.16 -0.473 . . . . 1.3400000000000001 110.163 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -52.62 -28.45 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 2.5899999999999999 109.887 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -76.88 -31.42 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.72 -0.673 . . . . 2.6800000000000002 110.469 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' CE1' HG23 ' B' ' 6' ' ' ILE . 26.3 p-80 -137.89 60.23 23.0 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.868 0.366 . . . . 3.0699999999999998 111.079 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.62 -30.46 3.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.599 2.199 . . . . 2.23 112.371 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 6.25 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.772 0.32 . . . . 5.7999999999999998 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.01 -152.19 23.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 3.3500000000000001 112.52 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.82 -149.77 28.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 1.99 112.488 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -93.37 14.11 19.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.681 0.276 . . . . 2.5899999999999999 111.324 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -28.73 24.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.192 0.52 . . . . 2.2200000000000002 110.109 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.474 HG23 ' CE1' ' A' ' 31' ' ' HIS . 25.6 mt -79.64 -44.76 23.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 2.1200000000000001 110.334 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -26.84 43.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.603 -0.726 . . . . 1.9399999999999999 110.735 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.38 -42.32 54.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.486 . . . . 2.79 110.189 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -61.78 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 2.79 110.756 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 13.0 pt -68.35 -42.57 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 1.7 111.156 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.41 -35.81 8.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.417 0.627 . . . . 1.51 109.839 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.79 -47.32 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 1.4399999999999999 109.388 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' B' ' 17' ' ' ILE . 27.5 mt -60.42 -47.33 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.709 . . . . 1.22 110.331 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.14 -32.77 7.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 1.3200000000000001 111.043 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -28.91 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.4199999999999999 110.398 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 13' ' ' ILE . 13.1 mt-10 -84.88 -33.46 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.582 . . . . 2.0299999999999998 110.926 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.7 mt -64.86 -33.36 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 1.6000000000000001 110.78 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -36.65 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 1.2 111.218 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.04 -44.0 70.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 1.5800000000000001 110.97 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.1 mt -69.51 -50.99 39.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 1.26 110.915 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -52.17 -30.95 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.3599999999999999 111.118 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.93 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.1899999999999999 111.007 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -72.38 -32.68 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 1.98 110.983 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -42.07 71.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 2.79 110.986 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -57.21 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 1.3400000000000001 111.351 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -35.53 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.387 . . . . 3.3999999999999999 110.64 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.5 mm? -70.0 -39.1 76.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 2.0299999999999998 109.804 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.87 -45.69 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 1.3700000000000001 110.193 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.9 -33.47 50.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.881 -0.6 . . . . 2.54 109.718 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 2.7599999999999998 110.282 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.48 ' CE1' HG21 ' A' ' 6' ' ' ILE . 56.3 p-80 -141.63 73.05 24.57 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-N 116.328 -0.396 . . . . 3.8700000000000001 111.039 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.65 -28.44 11.76 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.574 2.182 . . . . 2.5699999999999998 112.374 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.89 . . . . 6.4699999999999998 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.799 0.333 . . . . 5.2000000000000002 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.57 -121.63 1.07 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.721 -0.752 . . . . 3.3799999999999999 112.519 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.18 -126.82 8.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 2.2799999999999998 112.502 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -93.68 14.91 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.293 . . . . 2.71 111.364 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.63 -27.32 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 2.6600000000000001 110.131 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.494 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.9 mt -81.43 -45.16 20.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.396 -0.82 . . . . 2.3300000000000001 110.278 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -56.89 -26.61 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.556 -0.747 . . . . 2.1499999999999999 110.942 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.38 -39.49 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.028 0.442 . . . . 2.7799999999999998 110.329 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -62.53 -37.88 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 2.8799999999999999 110.808 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -70.85 -43.02 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 1.5600000000000001 111.212 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t0 -50.61 -34.34 25.63 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.265 0.555 . . . . 1.48 109.918 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -45.9 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.436 -0.802 . . . . 1.4099999999999999 109.324 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.3 mt -60.97 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.385 -0.825 . . . . 1.1599999999999999 110.171 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -48.56 -33.56 9.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.972 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.85 -28.69 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.3500000000000001 110.351 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 5.1 mm-40 -84.67 -34.42 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.933 -0.576 . . . . 2.0699999999999998 110.924 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.4 mt -64.38 -32.24 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 1.54 110.712 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -37.02 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 1.24 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.42 -43.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.969 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.6 mt -70.03 -51.51 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 1.23 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.3 -33.28 28.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 2.1499999999999999 111.191 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.08 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 1.28 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -74.54 -31.86 62.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 2.1299999999999999 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -44.67 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 3.5 111.118 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -56.62 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 1.4399999999999999 111.28 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -47.98 -39.06 18.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.071 0.462 . . . . 3.0099999999999998 110.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -66.02 -40.27 90.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 1.96 109.758 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.428 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 32.4 t -61.59 -46.84 95.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.021 -0.536 . . . . 1.3400000000000001 110.224 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.76 -31.69 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 2.5899999999999999 109.78 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -32.42 71.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 2.6800000000000002 110.212 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CE1' HG21 ' B' ' 6' ' ' ILE . 28.9 p-80 -135.9 73.72 59.13 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-N 116.253 -0.43 . . . . 3.0699999999999998 110.934 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.91 172.6 13.44 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.627 2.218 . . . . 2.23 112.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 6.25 110.873 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 5.7999999999999998 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.53 165.6 26.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 3.3500000000000001 112.459 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.91 -100.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 1.99 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -98.13 14.31 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 2.5899999999999999 111.37 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -28.56 22.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.15 0.5 . . . . 2.2200000000000002 110.105 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.477 HG21 ' CE1' ' A' ' 31' ' ' HIS . 2.0 mt -81.2 -44.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 2.1200000000000001 110.375 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.9 -28.1 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.685 -0.689 . . . . 1.9399999999999999 110.771 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -43.14 25.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 2.79 110.126 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -60.64 -36.03 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 2.79 110.79 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.3 pt -71.53 -43.56 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 1.7 111.152 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.64 -34.76 12.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.445 0.641 . . . . 1.51 109.781 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.51 -47.37 70.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.281 -0.872 . . . . 1.4399999999999999 109.46 178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.478 ' O ' HG13 ' B' ' 17' ' ' ILE . 24.7 mt -60.03 -47.11 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.596 -0.729 . . . . 1.22 110.389 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -49.06 -33.07 10.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.294 -0.412 . . . . 1.3200000000000001 111.004 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -74.67 -28.21 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.4199999999999999 110.318 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.3 mt-10 -84.67 -34.88 22.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 2.0299999999999998 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 13' ' ' ILE . 12.5 mt -63.37 -32.58 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 1.6000000000000001 110.815 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.35 -37.96 31.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 1.2 111.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.16 -43.69 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 1.5800000000000001 111.037 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.2 mt -69.35 -52.22 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 1.26 111.037 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -37.23 39.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 2.3599999999999999 111.195 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -33.5 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.1899999999999999 111.018 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -36.19 80.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 1.98 111.016 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.465 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -69.38 -42.99 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 2.79 111.22 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -56.7 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.3400000000000001 111.219 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 3.5 ptm180 -49.93 -37.05 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.06 0.457 . . . . 3.3999999999999999 110.717 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 0.7 OUTLIER -69.43 -37.57 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 2.0299999999999998 109.926 179.087 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.62 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 1.3700000000000001 109.971 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -54.2 -30.98 51.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 2.54 109.504 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -72.83 -29.82 63.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.707 . . . . 2.7599999999999998 110.458 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.494 ' CE1' HG22 ' A' ' 6' ' ' ILE . 42.2 p-80 -144.57 63.91 11.28 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.356 -0.384 . . . . 3.8700000000000001 111.06 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -78.23 -33.24 2.04 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.612 2.208 . . . . 2.5699999999999998 112.421 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 6.4699999999999998 110.877 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.815 0.341 . . . . 5.2000000000000002 111.143 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.14 -135.67 13.13 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.729 -0.748 . . . . 3.3799999999999999 112.488 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.85 33.11 42.42 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.701 -0.761 . . . . 2.2799999999999998 112.063 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -121.49 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.002 0.43 . . . . 2.71 111.167 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.62 -45.18 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 2.6600000000000001 109.542 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.48 HG23 ' CE1' ' B' ' 31' ' ' HIS . 2.0 mt -64.3 -51.71 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.555 -0.748 . . . . 2.3300000000000001 109.641 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -54.07 -34.79 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.07 -0.968 . . . . 2.1499999999999999 111.164 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -76.19 -36.68 58.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 2.7799999999999998 110.725 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -57.71 -44.95 86.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 2.8799999999999999 110.991 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 12.9 pt -67.92 -42.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 1.5600000000000001 111.26 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -46.65 -35.62 6.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.47 0.652 . . . . 1.48 110.056 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.98 -47.77 67.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 1.4099999999999999 109.492 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 17' ' ' ILE . 31.2 mt -60.36 -48.46 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 1.1599999999999999 110.521 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 2.8 t0 -48.02 -33.23 7.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 1.29 111.176 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 1.3500000000000001 110.388 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.77 -34.41 22.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.875 -0.602 . . . . 2.0699999999999998 110.936 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.2 mt -63.89 -34.09 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.996 -0.547 . . . . 1.54 110.738 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.5 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.673 -0.694 . . . . 1.24 111.274 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.05 -48.17 73.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 1.79 110.837 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.9 mt -63.69 -53.45 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.883 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -47.97 -30.1 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 2.1499999999999999 111.102 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.77 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 1.28 110.999 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -68.41 -31.8 71.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 2.1299999999999999 110.967 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -43.33 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 3.5 111.213 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -55.52 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 1.4399999999999999 111.343 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -48.85 -43.59 38.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 3.0099999999999998 110.598 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.0 OUTLIER -63.2 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.763 -0.653 . . . . 1.96 110.078 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.1 t -61.01 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 1.3400000000000001 110.22 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -52.46 -33.95 46.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 2.5899999999999999 109.688 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.71 -31.19 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.522 -0.763 . . . . 2.6800000000000002 110.186 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' CE1' ' CG2' ' B' ' 6' ' ' ILE . 15.6 p-80 -139.8 80.84 20.39 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.926 0.393 . . . . 3.0699999999999998 110.972 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.29 -27.24 28.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 2.23 112.315 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 6.25 110.879 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 5.7999999999999998 110.938 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.6 -27.9 16.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.791 -0.719 . . . . 3.3500000000000001 112.472 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.1 -103.81 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.688 -0.768 . . . . 1.99 112.581 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.04 13.87 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 2.5899999999999999 111.345 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.16 -28.93 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.521 . . . . 2.2200000000000002 110.11 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.47 ' CG2' ' CE1' ' A' ' 31' ' ' HIS . 3.1 mt -82.05 -44.12 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.473 -0.785 . . . . 2.1200000000000001 110.321 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -28.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.765 -0.652 . . . . 1.9399999999999999 110.692 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -79.74 -43.35 22.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 2.79 110.083 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -60.16 -34.84 74.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.662 -0.699 . . . . 2.79 110.765 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.7 pt -72.49 -43.5 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 1.7 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -48.14 -34.56 10.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.382 0.611 . . . . 1.51 109.852 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -67.99 -49.27 62.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 1.4399999999999999 109.651 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' B' ' 17' ' ' ILE . 40.0 mt -59.82 -48.18 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.772 -0.649 . . . . 1.22 110.43 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.69 -32.77 8.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.338 -0.392 . . . . 1.3200000000000001 111.088 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -75.19 -28.14 59.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.4199999999999999 110.319 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.0 mm-40 -85.22 -35.61 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 2.0299999999999998 110.903 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.0 mt -62.96 -32.95 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.778 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.49 -38.06 30.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 1.2 111.132 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -53.52 -42.9 67.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 1.5800000000000001 110.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 12.2 mt -70.02 -50.27 43.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 1.26 110.9 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.89 -41.46 58.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 111.172 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -34.61 78.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 1.1899999999999999 111.159 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -68.71 -35.57 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.113 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -72.03 -40.67 68.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 2.79 111.125 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.96 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 1.3400000000000001 111.403 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.407 ' CZ ' ' CD2' ' B' ' 27' ' ' LEU . 1.3 ptm180 -50.43 -42.57 54.15 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.898 0.38 . . . . 3.3999999999999999 110.613 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -63.82 -36.03 82.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 2.0299999999999998 110.01 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.0 t -65.16 -45.38 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 1.3700000000000001 110.4 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.09 -33.41 26.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 2.54 109.969 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.47 -32.11 67.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 2.7599999999999998 110.359 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.48 ' CE1' HG23 ' A' ' 6' ' ' ILE . 50.0 p-80 -142.13 67.49 21.71 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.8700000000000001 111.017 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -84.27 -164.07 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.931 2.421 . . . . 2.5699999999999998 112.152 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.211 -0.899 . . . . 6.4699999999999998 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.364 . . . . 5.2000000000000002 111.138 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.17 -138.95 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.762 -0.732 . . . . 3.3799999999999999 112.509 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.76 31.41 46.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 2.2799999999999998 112.021 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -118.07 -83.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.058 0.456 . . . . 2.71 111.129 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -146.63 -44.09 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 2.6600000000000001 109.587 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG21 ' CE1' ' B' ' 31' ' ' HIS . 1.6 mt -66.44 -52.63 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.551 -0.749 . . . . 2.3300000000000001 109.683 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -53.01 -34.51 56.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.132 -0.94 . . . . 2.1499999999999999 111.041 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.21 -35.68 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 2.7799999999999998 110.538 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -57.93 -40.87 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 2.8799999999999999 110.807 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 15.3 pt -69.61 -43.18 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 1.5600000000000001 111.167 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -34.98 5.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.399 0.619 . . . . 1.48 109.998 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.9 -50.09 58.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.331 -0.849 . . . . 1.4099999999999999 109.643 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.7 mt -58.81 -47.75 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 1.1599999999999999 110.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.64 -32.96 9.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.353 -0.385 . . . . 1.29 110.966 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.0 -28.09 60.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.3500000000000001 110.361 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -85.77 -34.25 21.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 2.0699999999999998 110.96 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.9 mt -64.4 -32.35 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 1.54 110.635 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -37.0 28.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 1.24 111.149 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.79 -43.41 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.8 mt -70.66 -50.79 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.23 110.954 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -52.4 -32.18 37.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 2.1499999999999999 111.109 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.93 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 1.28 111.002 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -71.37 -32.44 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 2.1299999999999999 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -72.03 -40.61 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 3.5 111.037 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -57.69 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 1.4399999999999999 111.321 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.38 -37.94 18.13 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.044 0.449 . . . . 3.0099999999999998 110.601 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 2.5 mp -66.62 -40.07 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 1.96 109.708 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.408 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 41.1 t -60.81 -45.3 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 CA-C-N 115.96 -0.564 . . . . 1.3400000000000001 110.208 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -51.98 -33.69 39.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 2.5899999999999999 109.655 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -32.59 73.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.554 -0.748 . . . . 2.6800000000000002 110.12 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CE1' HG23 ' B' ' 6' ' ' ILE . 27.9 p-80 -136.12 75.92 52.58 Favored Pre-proline 0 C--N 1.333 -0.124 0 CA-C-N 116.348 -0.387 . . . . 3.0699999999999998 110.908 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.67 -27.82 31.75 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.217 . . . . 2.23 112.336 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 6.25 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 5.7999999999999998 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.71 152.18 23.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.676 -0.774 . . . . 3.3500000000000001 112.494 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.69 -118.46 9.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.669 -0.777 . . . . 1.99 112.525 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 13.29 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.264 . . . . 2.5899999999999999 111.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -27.99 20.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 2.2200000000000002 110.069 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.475 HG23 ' CE1' ' A' ' 31' ' ' HIS . 21.3 mt -79.02 -44.42 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 2.1200000000000001 110.111 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -58.05 -29.91 65.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.566 -0.743 . . . . 1.9399999999999999 110.757 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -40.04 24.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.164 0.507 . . . . 2.79 110.075 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -35.05 75.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 2.79 110.72 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.2 pt -71.79 -43.74 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 1.7 111.225 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.66 -35.02 12.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.447 0.641 . . . . 1.51 109.795 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -46.57 73.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.315 -0.857 . . . . 1.4399999999999999 109.49 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 34.2 mt -61.42 -47.46 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.582 -0.736 . . . . 1.22 110.298 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.6 t0 -48.11 -32.67 7.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.417 . . . . 1.3200000000000001 111.106 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.22 -29.04 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 1.4199999999999999 110.43 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 2.9 mm-40 -84.59 -32.97 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 110.893 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.9 mt -65.23 -34.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.663 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.25 -36.06 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 1.2 111.309 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -47.83 72.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 1.5800000000000001 110.787 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.4 mt -63.73 -51.31 65.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.856 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -49.33 -30.38 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 2.3599999999999999 111.126 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.82 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 1.1899999999999999 111.015 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -66.94 -31.52 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.011 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -44.76 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 2.79 111.097 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -54.05 45.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 1.3400000000000001 111.234 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -43.67 53.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 3.3999999999999999 110.512 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.11 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 2.0299999999999998 110.081 179.114 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.2 t -62.99 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.173 -0.467 . . . . 1.3700000000000001 110.425 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.93 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.995 -0.548 . . . . 2.54 109.887 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -71.45 -29.86 65.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.584 -0.735 . . . . 2.7599999999999998 110.403 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.476 ' CE1' HG21 ' A' ' 6' ' ' ILE . 52.8 p-80 -144.22 71.57 16.27 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.291 -0.413 . . . . 3.8700000000000001 111.004 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.01 -29.39 18.0 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.466 2.111 . . . . 2.5699999999999998 112.208 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.17 -0.919 . . . . 6.4699999999999998 110.932 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.799 0.333 . . . . 5.2000000000000002 111.191 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.23 25.99 3.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.715 -0.755 . . . . 3.3799999999999999 112.55 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.21 25.59 57.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 2.2799999999999998 112.7 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 61.27 18.47 9.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.753 0.311 . . . . 2.71 111.394 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -27.63 45.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.139 0.495 . . . . 2.6600000000000001 110.123 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.491 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.0 mt -81.21 -46.1 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.571 -0.74 . . . . 2.3300000000000001 110.287 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.05 -24.7 41.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.653 -0.703 . . . . 2.1499999999999999 110.756 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -80.91 -40.83 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 2.7799999999999998 110.139 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -36.01 79.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.767 -0.651 . . . . 2.8799999999999999 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -70.59 -42.8 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 1.5600000000000001 110.997 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.52 -34.33 24.91 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.339 0.59 . . . . 1.48 109.811 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -67.07 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.354 -0.839 . . . . 1.4099999999999999 109.304 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 27.2 mt -61.11 -46.37 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.508 -0.769 . . . . 1.1599999999999999 110.134 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -48.94 -32.57 9.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.888 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.58 -28.34 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 1.3500000000000001 110.35 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.01 -34.2 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 2.0699999999999998 110.965 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.4 mt -64.49 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.727 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.94 33.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 1.24 111.17 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.93 -42.9 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.79 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 8.0 mt -70.92 -49.87 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.23 110.932 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -38.27 52.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 2.1499999999999999 111.217 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.88 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 1.28 111.08 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -34.47 76.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 2.1299999999999999 110.99 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -73.28 -43.32 61.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 3.5 111.194 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -55.44 23.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.4399999999999999 111.218 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -43.29 39.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 3.0099999999999998 110.42 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.7 mt -62.56 -37.78 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.744 -0.662 . . . . 1.96 110.019 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.0 t -64.25 -45.89 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 CA-C-N 116.025 -0.534 . . . . 1.3400000000000001 110.194 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.93 -28.63 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 2.5899999999999999 109.942 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.5 -31.43 60.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 2.6800000000000002 110.39 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CE1' HG22 ' B' ' 6' ' ' ILE . 34.8 p-80 -138.84 63.7 32.62 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.326 -0.397 . . . . 3.0699999999999998 111.032 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.06 -27.39 29.87 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.549 2.166 . . . . 2.23 112.397 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 6.25 110.856 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.81 0.338 . . . . 5.7999999999999998 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.79 152.78 10.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 3.3500000000000001 112.456 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.05 92.15 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 1.99 112.466 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 63.52 16.16 9.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.65 0.262 . . . . 2.5899999999999999 111.349 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -28.47 48.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 2.2200000000000002 109.972 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.475 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.5 mp -75.18 -46.78 38.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 2.1200000000000001 110.335 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.09 -27.42 53.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.686 . . . . 1.9399999999999999 110.769 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -42.67 32.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.469 . . . . 2.79 110.243 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -39.48 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.714 -0.675 . . . . 2.79 110.667 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 pt -69.32 -42.84 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.7 111.065 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -48.86 -34.83 13.34 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.451 0.643 . . . . 1.51 109.875 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -67.02 -46.43 74.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.275 -0.875 . . . . 1.4399999999999999 109.431 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.486 ' O ' HG13 ' B' ' 17' ' ' ILE . 33.1 mt -61.17 -47.04 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 1.22 110.346 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.4 t0 -48.3 -32.98 8.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 1.3200000000000001 110.995 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.01 -28.79 57.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 1.4199999999999999 110.446 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.409 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -84.32 -33.38 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 2.0299999999999998 110.817 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.6 mt -64.75 -34.07 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 1.6000000000000001 110.671 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.69 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 1.2 111.311 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -45.37 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 1.5800000000000001 110.97 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.6 mt -67.38 -50.85 58.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 1.26 110.938 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -50.52 -36.41 34.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 2.3599999999999999 111.157 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.45 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 1.1899999999999999 110.863 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -35.58 77.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 1.98 110.93 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.474 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -69.4 -43.14 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 2.79 111.141 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -56.16 18.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 1.3400000000000001 111.307 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 7.0 ptp180 -49.64 -40.12 38.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.032 0.444 . . . . 3.3999999999999999 110.516 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 1.0 OUTLIER -65.6 -38.76 90.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.006 -0.543 . . . . 2.0299999999999998 109.798 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 36.5 t -62.48 -45.64 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.065 -0.516 . . . . 1.3700000000000001 110.128 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -30.02 22.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 2.54 109.702 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.59 63.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.669 -0.696 . . . . 2.7599999999999998 110.505 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.491 ' CE1' HG22 ' A' ' 6' ' ' ILE . 34.5 p-80 -138.98 64.16 33.22 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.326 -0.397 . . . . 3.8700000000000001 110.974 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -83.04 -29.75 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.7 2.267 . . . . 2.5699999999999998 112.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.231 -0.89 . . . . 6.4699999999999998 110.879 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.858 0.361 . . . . 5.2000000000000002 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.26 -145.42 8.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.777 -0.725 . . . . 3.3799999999999999 112.497 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.05 41.17 21.63 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.854 -0.689 . . . . 2.2799999999999998 112.319 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.39 -84.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.471 . . . . 2.71 111.179 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -144.33 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 2.6600000000000001 109.595 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.489 HG23 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -64.8 -50.88 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 2.3300000000000001 109.719 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.93 -35.44 58.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.226 -0.897 . . . . 2.1499999999999999 111.099 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.92 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 2.7799999999999998 110.573 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -59.34 -41.09 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 2.8799999999999999 110.97 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -69.24 -43.45 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 1.5600000000000001 111.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.99 -34.69 9.7 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.307 0.575 . . . . 1.48 109.978 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.41 -48.48 67.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 1.4099999999999999 109.52 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.4 mt -60.15 -48.51 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.62 -0.718 . . . . 1.1599999999999999 110.365 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -48.0 -32.05 6.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.295 -0.411 . . . . 1.29 111.16 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -29.01 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.3500000000000001 110.391 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -84.43 -35.49 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 2.0699999999999998 110.916 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.6 mt -63.52 -34.02 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 1.54 110.711 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.23 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.67 -0.695 . . . . 1.24 111.348 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.02 -50.09 69.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 1.79 110.688 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.2 mt -61.55 -50.87 70.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 1.23 110.876 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.85 8.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 2.1499999999999999 110.928 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -32.13 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.28 110.695 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -66.0 -35.98 82.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 2.1299999999999999 110.776 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 1.5 mtp180 -73.13 -46.19 52.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 3.5 111.31 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -53.0 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 1.4399999999999999 111.217 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.7 ptp180 -52.39 -44.58 65.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 3.0099999999999998 110.514 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 0.3 OUTLIER -66.69 -34.44 77.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 1.96 110.375 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.3 t -62.51 -47.03 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.025 0.44 . . . . 1.3400000000000001 110.098 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -52.14 -34.48 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.5899999999999999 109.622 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -31.04 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 2.6800000000000002 110.243 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' CE1' HG23 ' B' ' 6' ' ' ILE . 33.2 p-80 -147.24 83.59 7.73 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-N 116.266 -0.425 . . . . 3.0699999999999998 110.984 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.4 -24.77 56.83 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.521 2.148 . . . . 2.23 112.371 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 6.25 110.997 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.863 0.364 . . . . 5.7999999999999998 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.43 67.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 3.3500000000000001 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.48 -162.64 54.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 1.99 112.449 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -95.73 13.84 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.666 0.269 . . . . 2.5899999999999999 111.366 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -27.74 20.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.51 . . . . 2.2200000000000002 110.101 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' A' ' 31' ' ' HIS . 24.8 mt -81.32 -44.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.376 -0.829 . . . . 2.1200000000000001 110.338 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.39 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.642 -0.708 . . . . 1.9399999999999999 110.964 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.21 -39.44 54.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.092 0.472 . . . . 2.79 110.375 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -61.51 -38.0 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.836 -0.62 . . . . 2.79 110.887 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.414 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 20.0 pt -71.64 -43.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.7 111.227 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.406 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.56 -34.25 17.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.336 0.589 . . . . 1.51 109.914 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -48.74 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 1.4399999999999999 109.527 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.464 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.4 mt -59.63 -47.84 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.548 -0.751 . . . . 1.22 110.407 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.6 -32.19 7.77 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.3200000000000001 110.977 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -28.77 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 1.4199999999999999 110.313 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.08 -36.07 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 2.0299999999999998 111.077 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.5 mt -62.87 -33.11 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 1.6000000000000001 110.765 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 -36.79 32.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 1.2 111.213 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.92 -44.74 70.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.817 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.1 mt -68.71 -49.92 54.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 1.26 110.764 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -50.73 -34.01 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 2.3599999999999999 111.034 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.48 -35.11 70.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.1899999999999999 110.861 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -68.03 -35.33 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.98 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.2 -42.76 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 2.79 111.018 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -53.09 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.3400000000000001 111.212 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -50.19 -43.8 52.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.06 0.457 . . . . 3.3999999999999999 110.606 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.415 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -63.17 -35.55 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 2.0299999999999998 110.103 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.5 t -65.51 -44.31 94.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 1.3700000000000001 110.227 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -30.98 33.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.927 -0.579 . . . . 2.54 109.853 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -74.13 -30.68 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.672 -0.694 . . . . 2.7599999999999998 110.303 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.489 ' CE1' HG23 ' A' ' 6' ' ' ILE . 54.7 p-80 -143.31 64.88 14.5 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-N 116.235 -0.439 . . . . 3.8700000000000001 111.039 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.98 -39.19 1.84 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.63 2.22 . . . . 2.5699999999999998 112.344 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.155 -0.926 . . . . 6.4699999999999998 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.842 0.353 . . . . 5.2000000000000002 111.161 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.22 68.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.664 -0.779 . . . . 3.3799999999999999 112.473 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.79 -96.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 2.2799999999999998 112.469 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.07 14.26 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 2.71 111.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -27.83 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.248 0.547 . . . . 2.6600000000000001 110.092 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' B' ' 31' ' ' HIS . 22.3 mt -80.68 -44.53 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 115.462 -0.79 . . . . 2.3300000000000001 110.27 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.28 -30.98 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 2.1499999999999999 110.788 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.32 -39.46 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 2.7799999999999998 110.202 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -61.83 -36.59 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.635 -0.711 . . . . 2.8799999999999999 110.734 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.6 pt -71.04 -43.5 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 1.5600000000000001 111.102 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.44 -34.14 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.367 0.603 . . . . 1.48 109.827 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.62 -46.62 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.333 -0.849 . . . . 1.4099999999999999 109.481 178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 17' ' ' ILE . 35.7 mt -61.56 -48.15 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 1.1599999999999999 110.381 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 3.4 t0 -48.22 -32.22 6.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.421 . . . . 1.29 111.011 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -29.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 1.3500000000000001 110.396 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.7 mm-40 -84.57 -33.59 23.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 2.0699999999999998 110.966 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.6 mt -64.83 -34.44 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.54 110.65 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.03 -36.55 40.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.755 -0.657 . . . . 1.24 111.27 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -45.2 71.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.86 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.5 mt -67.41 -50.56 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 1.23 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -52.57 -30.96 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 2.1499999999999999 111.141 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -33.4 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 1.28 111.055 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.47 -32.21 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 2.1299999999999999 111.076 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -70.7 -45.14 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 3.5 111.039 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -54.54 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 1.4399999999999999 111.115 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.7 ptm180 -50.92 -43.17 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 3.0099999999999998 110.464 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.7 mt -62.9 -36.09 82.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 1.96 110.019 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -66.11 -44.48 91.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.132 -0.485 . . . . 1.3400000000000001 110.128 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.73 -29.84 20.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.907 -0.588 . . . . 2.5899999999999999 110.016 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.9 -32.02 59.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 2.6800000000000002 110.411 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' HG21 ' B' ' 6' ' ' ILE . 52.5 p-80 -139.04 61.1 19.71 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.316 -0.402 . . . . 3.0699999999999998 111.063 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.07 -30.45 2.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.66 2.24 . . . . 2.23 112.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 6.25 110.86 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.83 0.348 . . . . 5.7999999999999998 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.57 -106.16 1.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.783 -0.722 . . . . 3.3500000000000001 112.515 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.23 45.09 21.06 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.852 -0.689 . . . . 1.99 112.262 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -129.47 -84.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.118 0.485 . . . . 2.5899999999999999 111.059 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.29 -44.26 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.2200000000000002 109.345 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mt -63.14 -48.71 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 115.6 -0.727 . . . . 2.1200000000000001 109.77 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -30.05 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.225 -0.898 . . . . 1.9399999999999999 111.063 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.06 -35.42 42.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 2.79 110.404 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -38.12 87.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 2.79 110.757 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.414 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.3 pt -70.96 -43.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.14 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 26.5 t0 -49.97 -34.46 20.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.356 0.598 . . . . 1.51 109.922 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.03 -47.58 70.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.421 -0.809 . . . . 1.4399999999999999 109.311 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' B' ' 17' ' ' ILE . 18.4 mt -60.12 -46.73 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.411 -0.813 . . . . 1.22 110.216 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -48.57 -32.57 8.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.34 -0.391 . . . . 1.3200000000000001 110.892 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -28.64 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 1.4199999999999999 110.359 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.921 -0.581 . . . . 2.0299999999999998 111.02 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.5 mt -64.57 -33.75 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 1.6000000000000001 110.713 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.78 -36.82 36.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 1.2 111.232 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.25 -44.97 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 1.5800000000000001 110.871 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 6.0 mt -67.74 -51.18 52.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 1.26 110.901 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -50.22 -31.76 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 2.3599999999999999 111.154 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.92 -36.73 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 1.1899999999999999 111.021 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -68.47 -31.14 70.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 1.98 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -42.66 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 2.79 110.929 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -56.45 12.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.3400000000000001 111.268 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -40.28 26.77 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.976 0.417 . . . . 3.3999999999999999 110.468 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.403 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 18.9 mt -64.69 -39.23 93.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 2.0299999999999998 109.84 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.5 t -62.41 -45.23 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.964 -0.562 . . . . 1.3700000000000001 110.171 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -52.32 -31.3 32.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 2.54 109.731 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 2.7599999999999998 110.168 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.491 ' CE1' HG23 ' A' ' 6' ' ' ILE . 28.4 p-80 -139.13 71.71 40.2 Favored Pre-proline 0 C--O 1.232 0.157 0 CA-C-N 116.306 -0.406 . . . . 3.8700000000000001 111.001 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.53 -26.25 16.94 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.618 2.212 . . . . 2.5699999999999998 112.359 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.226 -0.892 . . . . 6.4699999999999998 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.826 0.346 . . . . 5.2000000000000002 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.63 37.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 3.3799999999999999 112.489 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -153.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 2.2799999999999998 112.43 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.24 11.58 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.627 0.251 . . . . 2.71 111.409 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -51.84 -30.09 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.243 0.544 . . . . 2.6600000000000001 110.018 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.473 HG23 ' CE1' ' B' ' 31' ' ' HIS . 3.5 mt -76.39 -44.14 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.409 -0.814 . . . . 2.3300000000000001 110.155 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -30.19 62.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.582 -0.736 . . . . 2.1499999999999999 110.658 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.85 26.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 2.7799999999999998 110.089 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -35.13 77.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.638 -0.71 . . . . 2.8799999999999999 110.737 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 21.0 pt -71.55 -43.79 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 1.5600000000000001 111.198 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 3.3 t0 -50.0 -34.8 22.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.39 0.614 . . . . 1.48 109.776 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.82 -46.39 75.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.302 -0.863 . . . . 1.4099999999999999 109.497 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 17' ' ' ILE . 27.3 mt -61.31 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.539 -0.755 . . . . 1.1599999999999999 110.313 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -48.17 -32.51 7.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 1.29 111.027 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.99 -29.08 58.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 1.3500000000000001 110.39 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -84.5 -34.05 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 2.0699999999999998 110.935 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.9 mt -64.18 -34.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 1.54 110.663 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.85 45.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 1.24 111.235 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.34 -47.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 1.79 110.862 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.6 mt -63.74 -53.11 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 1.23 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.92 -31.09 4.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 2.1499999999999999 111.213 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.91 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 1.28 111.074 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 2.1299999999999999 111.068 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -42.78 68.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 3.5 111.211 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -56.3 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.4399999999999999 111.419 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -37.13 27.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.922 0.391 . . . . 3.0099999999999998 110.759 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.8 mp -69.0 -37.48 78.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 1.96 109.845 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.74 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 1.3400000000000001 110.006 179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.28 -31.53 44.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 2.5899999999999999 109.675 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.02 -30.01 66.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.637 -0.71 . . . . 2.6800000000000002 110.322 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' HG22 ' B' ' 6' ' ' ILE . 44.6 p-80 -144.77 67.66 14.02 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.351 -0.386 . . . . 3.0699999999999998 111.093 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.96 52.34 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.769 2.312 . . . . 2.23 112.532 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.395 . . . . 6.25 110.908 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.347 . . . . 5.7999999999999998 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.72 71.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.658 -0.782 . . . . 3.3500000000000001 112.477 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.88 -96.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 1.99 112.453 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 14.18 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 2.5899999999999999 111.355 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -27.66 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.215 0.531 . . . . 2.2200000000000002 110.036 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.499 HG22 ' CE1' ' A' ' 31' ' ' HIS . 21.2 mt -80.56 -45.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.374 -0.83 . . . . 2.1200000000000001 110.261 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.27 -27.87 56.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.5 -0.773 . . . . 1.9399999999999999 110.847 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.45 -37.87 42.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 2.79 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.64 -37.92 83.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.758 -0.655 . . . . 2.79 110.787 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.4 pt -71.24 -43.38 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.7 111.209 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -48.18 -34.94 10.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.394 0.616 . . . . 1.51 109.843 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.3 -46.98 68.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.301 -0.863 . . . . 1.4399999999999999 109.576 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.1 mt -60.69 -49.03 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.699 . . . . 1.22 110.394 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -48.7 -32.17 7.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.35 -0.387 . . . . 1.3200000000000001 111.077 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -28.23 59.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 1.4199999999999999 110.377 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.0 mm-40 -85.49 -36.4 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.625 . . . . 2.0299999999999998 110.914 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.2 mt -62.52 -32.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 1.6000000000000001 110.803 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.66 -38.43 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 1.2 111.249 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.48 -43.47 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.345 -0.389 . . . . 1.5800000000000001 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 11.8 mt -69.64 -51.39 35.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 1.26 110.962 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -52.67 -33.95 49.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 2.3599999999999999 111.12 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -30.54 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 1.1899999999999999 111.006 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -71.54 -33.64 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.473 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.85 -46.55 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 2.79 111.072 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -54.26 46.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 1.3400000000000001 111.232 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.0 ptm180 -50.43 -44.87 55.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.074 0.464 . . . . 3.3999999999999999 110.392 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.2 mp -61.48 -37.43 83.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.873 -0.603 . . . . 2.0299999999999998 109.975 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 37.2 t -63.64 -45.44 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.113 -0.494 . . . . 1.3700000000000001 110.2 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -28.03 15.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 2.54 109.927 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -31.86 58.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.636 -0.711 . . . . 2.7599999999999998 110.47 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.473 ' CE1' HG23 ' A' ' 6' ' ' ILE . 21.1 p-80 -136.59 61.24 35.99 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-O 120.911 0.386 . . . . 3.8700000000000001 111.108 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 -33.77 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.59 2.193 . . . . 2.5699999999999998 112.413 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.212 -0.899 . . . . 6.4699999999999998 110.882 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.782 0.325 . . . . 5.2000000000000002 111.246 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.31 -41.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 3.3799999999999999 112.424 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.28 -125.81 7.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 2.2799999999999998 112.483 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.03 15.35 17.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.688 0.28 . . . . 2.71 111.408 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -53.44 -27.92 27.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.181 0.515 . . . . 2.6600000000000001 110.102 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.488 HG23 ' CE1' ' B' ' 31' ' ' HIS . 23.4 mt -81.79 -44.98 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.461 -0.791 . . . . 2.3300000000000001 110.279 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.82 -28.77 57.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.71 -0.677 . . . . 2.1499999999999999 110.767 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -77.1 -38.9 51.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 2.7799999999999998 110.213 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -63.18 -37.31 86.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.665 . . . . 2.8799999999999999 110.822 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.6 pt -71.73 -43.27 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 1.5600000000000001 111.216 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.4 t70 -50.72 -33.93 24.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.406 0.622 . . . . 1.48 109.977 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.31 -47.34 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.357 -0.838 . . . . 1.4099999999999999 109.249 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' A' ' 17' ' ' ILE . 20.8 mt -60.09 -45.87 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.411 -0.813 . . . . 1.1599999999999999 110.226 178.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.271 -0.422 . . . . 1.29 111.002 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -28.29 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 1.3500000000000001 110.407 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.2 mt-10 -85.27 -34.04 22.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 2.0699999999999998 110.988 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.5 mt -64.41 -32.25 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.132 0.492 . . . . 1.54 110.812 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.51 30.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 1.24 111.187 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.18 -43.46 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.98 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CB ' HG12 ' B' ' 17' ' ' ILE . 11.9 mt -68.68 -54.66 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 1.23 111.056 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.78 -34.49 27.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 2.1499999999999999 111.211 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.36 61.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 1.28 111.024 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -73.17 -33.76 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 2.1299999999999999 111.212 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -68.89 -44.91 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 3.5 111.177 -179.801 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -55.43 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 1.4399999999999999 111.351 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -49.58 -43.05 45.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.019 0.437 . . . . 3.0099999999999998 110.491 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.4 mp -63.66 -37.9 89.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.96 110.096 179.192 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.441 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 43.4 t -61.06 -46.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 1.3400000000000001 110.28 179.318 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -32.21 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 2.5899999999999999 109.639 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.97 -30.77 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.61 -0.723 . . . . 2.6800000000000002 110.374 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' B' ' 6' ' ' ILE . 24.1 p-80 -137.81 72.93 47.86 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-O 120.861 0.362 . . . . 3.0699999999999998 111.043 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.84 -167.65 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.524 2.149 . . . . 2.23 112.247 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 6.25 110.915 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 5.7999999999999998 110.908 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.58 102.35 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.813 -0.708 . . . . 3.3500000000000001 112.507 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.8 -163.11 0.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 1.99 112.495 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.67 14.91 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.68 0.276 . . . . 2.5899999999999999 111.397 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -29.98 29.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.137 0.494 . . . . 2.2200000000000002 109.992 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 31' ' ' HIS . 2.1 mt -78.89 -45.15 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.496 -0.775 . . . . 2.1200000000000001 110.369 179.208 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -31.49 61.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.598 -0.728 . . . . 1.9399999999999999 110.637 179.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -77.44 -39.61 46.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 2.79 110.07 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -62.8 -38.81 92.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 2.79 110.676 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.7 pt -70.59 -43.21 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 1.7 111.092 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -49.27 -34.85 16.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.406 0.622 . . . . 1.51 109.822 179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.29 -46.19 74.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.376 -0.829 . . . . 1.4399999999999999 109.331 178.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.3 mt -60.18 -45.04 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 1.22 110.202 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 4.2 t0 -49.28 -34.15 14.63 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.263 -0.426 . . . . 1.3200000000000001 110.907 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -28.16 61.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.4199999999999999 110.325 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.9 mt-10 -84.85 -34.36 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 111.039 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.4 mt -64.24 -32.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 1.6000000000000001 110.75 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.81 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 1.2 111.274 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.2 -43.57 70.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 1.5800000000000001 110.993 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 11.2 mt -68.42 -53.07 26.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 1.26 111.064 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.18 -35.58 36.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 2.3599999999999999 111.348 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.17 64.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.403 . . . . 1.1899999999999999 111.078 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -71.62 -33.51 69.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.98 111.236 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.462 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -70.63 -43.55 68.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 2.79 111.271 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -57.6 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 1.3400000000000001 111.164 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 2.1 ptp180 -49.08 -35.87 17.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.089 0.471 . . . . 3.3999999999999999 110.621 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 4.3 mt -70.54 -39.62 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 2.0299999999999998 109.97 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 35.4 t -60.9 -45.71 97.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 1.3700000000000001 110.145 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.23 -34.89 59.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.636 . . . . 2.54 109.516 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -65.53 -30.49 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 2.7599999999999998 110.24 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.488 ' CE1' HG23 ' A' ' 6' ' ' ILE . 33.9 p-80 -142.0 77.27 18.58 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-N 116.301 -0.409 . . . . 3.8700000000000001 110.971 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.25 -27.85 19.24 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.533 2.155 . . . . 2.5699999999999998 112.323 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.22 -0.895 . . . . 6.4699999999999998 110.872 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 5.2000000000000002 111.226 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.17 141.57 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.719 -0.753 . . . . 3.3799999999999999 112.534 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.91 91.75 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 2.2799999999999998 112.399 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.76 15.88 9.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.748 0.309 . . . . 2.71 111.443 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.11 -26.22 36.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.528 . . . . 2.6600000000000001 110.147 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.493 HG23 ' CE1' ' B' ' 31' ' ' HIS . 22.4 mt -79.09 -45.67 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.564 -0.743 . . . . 2.3300000000000001 110.36 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.18 -26.58 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.519 -0.764 . . . . 2.1499999999999999 110.879 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -38.77 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 2.7799999999999998 110.186 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -59.67 -39.11 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.756 -0.656 . . . . 2.8799999999999999 110.914 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.02 -43.19 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 1.5600000000000001 111.14 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.96 -34.86 9.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.281 0.562 . . . . 1.48 109.939 179.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.58 -49.57 62.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.366 -0.834 . . . . 1.4099999999999999 109.644 178.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 17' ' ' ILE . 36.8 mt -59.4 -47.77 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.755 -0.657 . . . . 1.1599999999999999 110.456 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.51 -32.8 8.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.089 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.1 -28.52 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 1.3500000000000001 110.405 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.1 mt-10 -85.08 -35.05 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 2.0699999999999998 110.925 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.0 mt -63.31 -33.0 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 1.54 110.682 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 -37.74 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.795 -0.639 . . . . 1.24 111.186 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -42.7 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 1.79 110.951 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.2 mt -70.68 -50.59 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 1.23 110.925 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -48.81 -43.59 38.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 2.1499999999999999 111.264 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.94 93.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.503 . . . . 1.28 110.868 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -35.12 74.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.002 -0.545 . . . . 2.1299999999999999 110.916 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.8 OUTLIER -73.34 -43.83 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 3.5 111.163 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -56.67 14.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 1.4399999999999999 111.247 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -40.69 48.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.987 0.422 . . . . 3.0099999999999998 110.488 -179.797 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.5 mp -64.71 -37.66 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 1.96 109.832 178.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -62.27 -44.7 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.137 -0.483 . . . . 1.3400000000000001 110.067 179.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -52.32 -31.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.837 -0.62 . . . . 2.5899999999999999 109.728 178.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -72.13 -30.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.529 -0.759 . . . . 2.6800000000000002 110.391 179.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' CE1' HG22 ' B' ' 6' ' ' ILE . 32.4 p-80 -142.35 67.99 20.98 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-N 116.327 -0.397 . . . . 3.0699999999999998 111.01 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.58 -28.36 11.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.191 . . . . 2.23 112.355 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 6.25 110.906 179.968 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 5.7999999999999998 110.903 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.01 62.7 4.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 3.3500000000000001 112.515 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.22 71.28 2.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.729 . . . . 1.99 112.519 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.03 17.89 9.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.759 0.314 . . . . 2.5899999999999999 111.417 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -55.49 -26.02 40.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.154 0.502 . . . . 2.2200000000000002 110.159 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.489 HG22 ' CE1' ' A' ' 31' ' ' HIS . 19.0 mt -82.27 -46.14 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.471 -0.786 . . . . 2.1200000000000001 110.397 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -30.5 64.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 1.9399999999999999 110.841 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.97 -39.18 35.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.082 0.468 . . . . 2.79 110.335 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -37.92 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.79 110.725 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.3 pt -70.53 -42.79 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 1.7 111.211 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.9 -34.68 21.02 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.405 0.622 . . . . 1.51 109.892 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.64 -46.99 73.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.305 -0.861 . . . . 1.4399999999999999 109.272 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.8 mt -60.4 -46.41 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.421 -0.809 . . . . 1.22 110.216 178.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -48.27 -33.14 8.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.298 -0.41 . . . . 1.3200000000000001 110.996 179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.16 -29.15 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 1.4199999999999999 110.359 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' B' ' 13' ' ' ILE . 13.4 mt-10 -84.44 -34.27 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 2.0299999999999998 111.062 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -64.36 -32.89 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 1.6000000000000001 110.768 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.43 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 1.2 111.272 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.25 -45.14 72.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.5800000000000001 110.926 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.2 mt -67.91 -50.97 53.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 1.26 110.938 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.09 -32.31 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 2.3599999999999999 111.091 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.61 66.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 1.1899999999999999 110.981 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -69.47 -35.67 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.98 111.059 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -44.72 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 2.79 111.055 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -53.51 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 1.3400000000000001 111.272 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.3 ptp180 -50.2 -42.31 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 3.3999999999999999 110.624 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -65.53 -36.29 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.954 -0.567 . . . . 2.0299999999999998 110.058 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.83 -44.46 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 1.3700000000000001 110.113 179.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -52.03 -33.27 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 2.54 109.754 179.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -68.68 -34.13 75.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 2.7599999999999998 110.129 178.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.493 ' CE1' HG23 ' A' ' 6' ' ' ILE . 44.7 p-80 -138.35 73.55 43.05 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 3.8700000000000001 110.97 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.98 -28.36 9.27 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.53 2.153 . . . . 2.5699999999999998 112.339 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.229 -0.891 . . . . 6.4699999999999998 110.905 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.809 0.338 . . . . 5.2000000000000002 111.185 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.51 128.15 5.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.788 -0.72 . . . . 3.3799999999999999 112.511 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.04 -131.02 2.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.683 -0.77 . . . . 2.2799999999999998 112.53 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.31 14.14 19.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 2.71 111.385 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -52.84 -27.9 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 2.6600000000000001 110.059 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.47 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.0 mt -80.8 -45.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.499 -0.773 . . . . 2.3300000000000001 110.347 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -29.81 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.631 -0.713 . . . . 2.1499999999999999 110.812 179.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.77 -41.19 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 2.7799999999999998 110.172 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.17 -34.29 76.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 2.8799999999999999 110.713 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.7 pt -72.82 -43.44 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 1.5600000000000001 111.269 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.423 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 t70 -50.39 -34.2 23.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.36 0.6 . . . . 1.48 109.863 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.3 -48.17 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.369 -0.832 . . . . 1.4099999999999999 109.448 178.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.0 mt -59.63 -46.51 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.514 -0.766 . . . . 1.1599999999999999 110.333 178.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.28 -34.26 10.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.118 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.24 -28.7 61.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.3500000000000001 110.397 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.2 mt-10 -85.07 -34.03 22.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.856 -0.611 . . . . 2.0699999999999998 111.064 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.5 mt -64.33 -32.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.069 0.461 . . . . 1.54 110.789 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -39.54 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.651 . . . . 1.24 111.363 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.75 -43.58 69.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.313 -0.403 . . . . 1.79 111.046 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' CB ' HG12 ' B' ' 17' ' ' ILE . 10.7 mt -68.96 -54.21 16.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 1.23 111.142 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -52.84 -32.89 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 2.1499999999999999 111.362 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.6 -29.43 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 1.28 111.181 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -35.68 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 2.1299999999999999 111.23 -179.782 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.4 OUTLIER -66.08 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 3.5 111.299 -179.665 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -56.84 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.4399999999999999 110.983 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -49.07 -39.76 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 3.0099999999999998 110.4 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 4.4 mt -67.33 -39.48 85.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.79 -0.641 . . . . 1.96 110.229 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 26.3 t -61.36 -47.81 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.144 -0.48 . . . . 1.3400000000000001 110.398 179.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -51.6 -33.4 32.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.003 -0.544 . . . . 2.5899999999999999 109.716 179.065 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -32.93 74.69 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.525 -0.761 . . . . 2.6800000000000002 110.177 178.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.3 p-80 -136.72 84.93 25.53 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 3.0699999999999998 110.892 179.454 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.43 -27.02 34.14 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.543 2.162 . . . . 2.23 112.254 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 6.25 110.909 179.988 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 5.7999999999999998 110.904 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.66 -53.88 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.836 -0.697 . . . . 3.3500000000000001 112.514 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.27 -142.34 22.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.741 -0.742 . . . . 1.99 112.542 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -92.78 13.27 20.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.612 0.244 . . . . 2.5899999999999999 111.368 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -52.44 -28.62 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.521 . . . . 2.2200000000000002 110.106 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.476 HG22 ' CE1' ' A' ' 31' ' ' HIS . 23.6 mt -79.88 -44.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.426 -0.806 . . . . 2.1200000000000001 110.409 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -31.66 63.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 1.9399999999999999 110.786 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -77.19 -40.26 45.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.5 . . . . 2.79 110.274 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -63.41 -36.31 83.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 2.79 110.84 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.7 pt -72.11 -43.69 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.7 111.292 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 6.7 m-20 -50.52 -34.35 24.97 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.417 0.627 . . . . 1.51 109.858 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.22 72.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.299 -0.864 . . . . 1.4399999999999999 109.334 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.488 ' O ' HG13 ' B' ' 17' ' ' ILE . 22.9 mt -60.25 -45.98 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.456 -0.793 . . . . 1.22 110.297 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -48.21 -34.12 9.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.275 -0.42 . . . . 1.3200000000000001 110.966 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.65 -28.93 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 1.4199999999999999 110.401 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -84.82 -33.13 22.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.856 -0.611 . . . . 2.0299999999999998 111.02 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.0 mt -65.15 -32.57 58.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 1.6000000000000001 110.733 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -38.29 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 1.2 111.306 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -44.18 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.5800000000000001 110.959 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 11.5 mt -67.98 -53.72 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 1.26 111.208 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.82 -34.12 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 2.3599999999999999 111.351 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.97 -29.3 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.1899999999999999 111.18 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -35.11 66.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.98 111.205 -179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.472 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.23 -47.36 68.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.372 -0.376 . . . . 2.79 111.321 -179.678 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -54.53 44.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 1.3400000000000001 111.274 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.23 -43.96 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 3.3999999999999999 110.373 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.66 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.92 -0.582 . . . . 2.0299999999999998 110.037 179.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.406 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 28.9 t -62.57 -46.39 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 120.95 0.405 . . . . 1.3700000000000001 110.306 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -51.92 -29.95 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 2.54 109.784 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -72.48 -31.56 65.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.637 -0.71 . . . . 2.7599999999999998 110.337 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.47 ' CE1' HG22 ' A' ' 6' ' ' ILE . 23.1 p-80 -137.74 69.26 51.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.341 -0.39 . . . . 3.8700000000000001 110.979 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 -36.89 3.44 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.531 2.154 . . . . 2.5699999999999998 112.304 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 6.4699999999999998 110.865 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.777 0.323 . . . . 5.2000000000000002 111.175 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.53 156.32 21.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.625 -0.798 . . . . 3.3799999999999999 112.419 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.05 60.97 4.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.742 -0.742 . . . . 2.2799999999999998 112.476 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.62 17.17 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 2.71 111.41 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.26 -28.36 41.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 2.6600000000000001 110.162 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.481 HG23 ' CE1' ' B' ' 31' ' ' HIS . 23.1 mt -80.43 -45.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.425 -0.807 . . . . 2.3300000000000001 110.276 179.334 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.15 -28.44 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.721 -0.672 . . . . 2.1499999999999999 110.762 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -76.23 -42.22 46.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 2.7799999999999998 110.38 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -62.57 -40.87 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 2.8799999999999999 110.796 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.0 pt -68.71 -42.63 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 1.5600000000000001 111.134 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -50.31 -34.8 24.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.391 0.615 . . . . 1.48 109.873 179.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.64 -46.55 78.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.265 -0.88 . . . . 1.4099999999999999 109.178 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' HG13 ' A' ' 17' ' ' ILE . 29.9 mt -61.27 -45.59 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.259 -0.882 . . . . 1.1599999999999999 110.156 178.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -47.51 -33.08 5.91 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.992 179.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -30.05 57.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 1.3500000000000001 110.366 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.26 -31.38 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 2.0699999999999998 111.097 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.1 mt -66.46 -35.14 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.54 110.65 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.44 52.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 1.24 111.437 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.92 -45.19 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.953 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 4.8 mt -66.53 -51.13 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 1.23 111.023 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -50.78 -34.21 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 2.1499999999999999 111.094 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.18 74.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 1.28 110.958 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -35.64 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 2.1299999999999999 111.084 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -68.78 -44.16 74.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 3.5 111.319 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -55.48 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 1.4399999999999999 111.377 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 2.3 ptt85 -49.57 -42.75 45.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.036 0.446 . . . . 3.0099999999999998 110.565 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -64.3 -37.69 88.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.933 -0.576 . . . . 1.96 110.089 179.211 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.86 -45.5 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.262 -0.427 . . . . 1.3400000000000001 110.217 179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -52.19 -32.06 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.888 -0.596 . . . . 2.5899999999999999 109.656 179.019 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -30.82 67.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.586 -0.734 . . . . 2.6800000000000002 110.413 179.066 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' HG22 ' B' ' 6' ' ' ILE . 26.8 p-80 -138.57 72.04 43.74 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.893 0.378 . . . . 3.0699999999999998 111.0 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.13 -29.24 10.05 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.554 2.169 . . . . 2.23 112.409 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 6.25 110.869 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 5.7999999999999998 110.873 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.93 153.88 25.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 3.3500000000000001 112.49 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.38 -94.94 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 1.99 112.525 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.85 14.8 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.734 0.302 . . . . 2.5899999999999999 111.398 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -52.77 -30.24 31.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 2.2200000000000002 110.064 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' A' ' 31' ' ' HIS . 29.3 mt -78.53 -44.28 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.498 -0.774 . . . . 2.1200000000000001 110.194 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.93 -28.06 48.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.614 -0.721 . . . . 1.9399999999999999 110.562 179.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -76.72 -40.81 47.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 2.79 110.106 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -61.87 -43.29 99.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.74 -0.664 . . . . 2.79 110.623 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 15.5 pt -67.01 -42.58 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.7 111.007 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.02 -34.88 14.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.34 0.59 . . . . 1.51 109.867 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.38 -46.75 75.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.389 -0.823 . . . . 1.4399999999999999 109.231 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.2 mt -60.3 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.424 -0.807 . . . . 1.22 109.947 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.11 -32.38 9.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 1.3200000000000001 110.909 179.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -75.57 -28.45 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.4199999999999999 110.295 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 20.0 mt-10 -85.37 -33.8 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 2.0299999999999998 111.044 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.1 mt -65.12 -32.63 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.6000000000000001 110.698 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.85 -36.63 31.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 1.2 111.187 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.74 -44.45 69.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 1.5800000000000001 110.81 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.8 mt -69.86 -50.13 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 1.26 110.899 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -55.33 -33.55 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 2.3599999999999999 111.149 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.44 71.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 1.1899999999999999 111.125 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -70.67 -32.67 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.98 111.027 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.17 -45.75 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 2.79 111.132 -179.855 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -56.01 22.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.3400000000000001 111.241 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -49.26 -43.0 42.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 3.3999999999999999 110.288 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 2.8 mt -62.55 -39.32 93.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.795 -0.639 . . . . 2.0299999999999998 109.921 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.408 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 25.0 t -63.85 -44.29 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.14 -0.482 . . . . 1.3700000000000001 110.152 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -52.1 -28.41 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 2.54 109.978 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -77.35 -30.83 54.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.678 -0.692 . . . . 2.7599999999999998 110.54 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.481 ' CE1' HG23 ' A' ' 6' ' ' ILE . 29.9 p-80 -136.74 58.85 20.95 Favored Pre-proline 0 N--CA 1.462 0.158 0 CA-C-O 120.891 0.376 . . . . 3.8700000000000001 111.068 179.668 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.03 -36.75 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.655 2.237 . . . . 2.5699999999999998 112.425 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.203 -0.903 . . . . 6.4699999999999998 110.88 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.842 0.353 . . . . 5.2000000000000002 111.165 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.42 -143.66 1.46 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.761 . . . . 3.3799999999999999 112.466 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.06 37.25 16.23 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.83 -0.7 . . . . 2.2799999999999998 112.371 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -125.88 -84.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 2.71 111.056 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 -45.61 0.25 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 2.6600000000000001 109.523 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.461 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.5 mt -63.96 -49.47 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 2.3300000000000001 109.721 178.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.48 -28.96 33.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.261 -0.881 . . . . 2.1499999999999999 111.099 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -78.64 -38.53 39.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 2.7799999999999998 110.369 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -40.07 89.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.897 -0.592 . . . . 2.8799999999999999 110.78 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -68.44 -43.03 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.5600000000000001 111.177 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -49.17 -34.53 14.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.344 0.592 . . . . 1.48 109.868 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -66.62 -47.54 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.407 -0.815 . . . . 1.4099999999999999 109.283 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.0 mt -59.76 -46.12 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.403 -0.817 . . . . 1.1599999999999999 110.093 178.694 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.13 -31.89 9.01 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.222 -0.444 . . . . 1.29 110.908 179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 1.3500000000000001 110.287 179.461 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.9 mt-10 -85.04 -34.04 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.795 -0.639 . . . . 2.0699999999999998 111.031 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -65.12 -32.54 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 1.54 110.719 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.01 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.573 . . . . 1.24 111.235 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -53.36 -44.21 68.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.79 110.866 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.5 mt -69.97 -49.57 50.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.23 110.798 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.3 -34.96 62.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 2.1499999999999999 111.025 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.88 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 1.28 111.014 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -69.14 -32.97 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 2.1299999999999999 110.952 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -70.07 -46.19 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 3.5 111.073 -179.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.83 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.4399999999999999 111.041 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -49.32 -42.87 42.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 3.0099999999999998 110.357 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 2.5 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.69 -0.687 . . . . 1.96 110.115 179.176 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 33.2 t -62.05 -46.12 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.187 -0.461 . . . . 1.3400000000000001 110.218 179.324 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -51.94 -31.29 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.5899999999999999 109.873 179.103 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -71.27 -31.15 67.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.61 -0.723 . . . . 2.6800000000000002 110.376 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CE1' HG21 ' B' ' 6' ' ' ILE . 24.9 p-80 -137.21 71.46 54.26 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 3.0699999999999998 110.985 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.55 -22.73 37.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.592 2.195 . . . . 2.23 112.345 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 6.25 110.936 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.824 0.345 . . . . 5.7999999999999998 110.919 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.14 167.75 13.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.761 . . . . 3.3500000000000001 112.472 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.23 -106.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 1.99 112.493 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -128.13 13.46 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.688 0.28 . . . . 2.5899999999999999 111.372 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -29.63 23.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.25 0.547 . . . . 2.2200000000000002 110.137 179.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.467 HG21 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -80.5 -43.38 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.421 -0.809 . . . . 2.1200000000000001 110.245 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.11 -29.15 60.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.664 -0.698 . . . . 1.9399999999999999 110.766 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -76.98 -42.17 40.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.982 -0.554 . . . . 2.79 110.336 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -38.54 89.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 2.79 110.825 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.405 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.9 pt -69.82 -43.24 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 1.7 111.195 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.13 -34.71 23.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.377 0.608 . . . . 1.51 109.871 179.594 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -46.66 76.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.322 -0.854 . . . . 1.4399999999999999 109.239 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.499 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.0 mt -61.02 -46.05 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.468 -0.787 . . . . 1.22 110.168 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.8 t0 -48.06 -32.58 6.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.18 -0.464 . . . . 1.3200000000000001 111.008 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.24 -29.43 57.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 1.4199999999999999 110.352 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' B' ' 13' ' ' ILE . 13.7 mm-40 -84.53 -32.25 24.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 2.0299999999999998 111.054 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -65.86 -34.61 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.6000000000000001 110.674 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.08 -37.6 46.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 1.2 111.297 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.41 -43.64 68.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 1.5800000000000001 110.996 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 7.2 mt -68.55 -50.07 54.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 1.26 110.826 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.9 -41.53 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 2.3599999999999999 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.85 98.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 1.1899999999999999 110.71 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.33 -34.76 70.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 1.98 110.971 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.473 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -73.47 -45.6 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 2.79 111.185 -179.867 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -55.25 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 1.3400000000000001 111.246 -179.533 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -43.17 55.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.426 . . . . 3.3999999999999999 110.433 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.432 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 0.5 OUTLIER -62.51 -37.65 86.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 2.0299999999999998 109.807 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 36.3 t -63.77 -44.58 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.113 -0.494 . . . . 1.3700000000000001 110.126 179.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -30.0 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 2.54 109.868 179.131 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -31.62 60.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.635 -0.711 . . . . 2.7599999999999998 110.47 179.235 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.461 ' CE1' HG22 ' A' ' 6' ' ' ILE . 44.6 p-80 -139.13 60.57 17.9 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 3.8700000000000001 110.97 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.93 -43.39 0.08 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.736 2.29 . . . . 2.5699999999999998 112.499 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.234 -0.889 . . . . 6.4699999999999998 110.898 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.825 0.345 . . . . 5.2000000000000002 111.188 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.65 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 3.3799999999999999 112.52 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.93 -94.09 0.6 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 2.2799999999999998 112.551 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.76 15.12 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 2.71 111.32 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -28.01 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.135 0.493 . . . . 2.6600000000000001 110.097 179.639 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.9 mp -84.64 -44.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 2.3300000000000001 110.37 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.07 -23.83 49.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.582 -0.735 . . . . 2.1499999999999999 110.999 179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -78.5 -44.43 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.152 0.501 . . . . 2.7799999999999998 110.364 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -39.84 87.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.699 -0.682 . . . . 2.8799999999999999 110.787 179.77 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 13.2 pt -68.99 -42.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 1.5600000000000001 111.147 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.36 -36.04 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.424 0.631 . . . . 1.48 109.698 179.553 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.81 -44.23 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.28 -0.873 . . . . 1.4099999999999999 109.168 178.596 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 17' ' ' ILE . 10.4 mt -61.63 -48.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.401 -0.818 . . . . 1.1599999999999999 110.268 178.879 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -47.76 -31.55 4.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.268 -0.424 . . . . 1.29 111.123 179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -76.91 -28.88 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.3500000000000001 110.462 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' ILE . 7.4 mm-40 -85.48 -35.58 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 2.0699999999999998 111.027 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' ILE . 8.7 mt -63.8 -34.02 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 1.54 110.618 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -36.66 37.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 1.24 111.2 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -42.71 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.79 110.988 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' HD11 ' B' ' 20' ' ' LEU . 9.2 mt -71.06 -50.32 35.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 1.23 110.876 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.33 -40.26 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 2.1499999999999999 110.971 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.96 73.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 1.28 110.861 179.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -71.83 -33.11 68.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 2.1299999999999999 110.8 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HG2' ' HB ' ' B' ' 10' ' ' ILE . 19.5 ttt180 -74.49 -43.18 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 3.5 111.018 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -53.94 51.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 1.4399999999999999 110.825 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -50.16 -43.56 52.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 3.0099999999999998 110.174 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 11.8 mt -62.09 -38.51 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 1.96 109.894 179.027 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.23 -45.09 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 1.3400000000000001 110.24 179.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -52.89 -27.29 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.784 -0.643 . . . . 2.5899999999999999 110.032 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.25 -30.77 54.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 2.6800000000000002 110.482 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' HG22 ' B' ' 6' ' ' ILE . 27.6 p-80 -137.01 60.34 28.11 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-O 120.855 0.36 . . . . 3.0699999999999998 111.083 179.639 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.66 -28.56 6.45 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.535 2.156 . . . . 2.23 112.388 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 6.25 110.921 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.821 0.343 . . . . 5.7999999999999998 110.91 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.62 80.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 3.3500000000000001 112.52 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.06 -84.69 1.28 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.692 -0.766 . . . . 1.99 112.515 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 13.66 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 2.5899999999999999 111.364 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -52.75 -29.47 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.151 0.5 . . . . 2.2200000000000002 110.049 179.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.461 HG22 ' CE1' ' A' ' 31' ' ' HIS . 30.9 mt -76.05 -44.68 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.442 -0.799 . . . . 2.1200000000000001 110.192 179.072 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.28 -28.17 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 1.9399999999999999 110.735 179.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -76.49 -42.6 42.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.79 110.226 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.09 -40.72 96.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.702 -0.681 . . . . 2.79 110.798 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.418 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.1 pt -68.94 -42.84 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.364 -0.38 . . . . 1.7 111.146 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -48.99 -35.64 15.74 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.421 0.629 . . . . 1.51 109.732 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.41 -43.86 84.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 1.4399999999999999 109.192 178.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' B' ' 17' ' ' ILE . 13.1 mt -62.0 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 1.22 110.243 178.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -47.5 -31.73 4.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.182 -0.463 . . . . 1.3200000000000001 111.079 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -29.94 55.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 1.4199999999999999 110.509 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 13' ' ' ILE . 11.2 mm-40 -84.49 -33.73 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.906 -0.588 . . . . 2.0299999999999998 111.107 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.8 mt -64.32 -36.46 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 1.6000000000000001 110.603 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.62 -36.56 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 1.2 111.319 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -43.71 69.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.5800000000000001 110.884 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.417 HD11 ' HG ' ' A' ' 20' ' ' LEU . 5.5 mt -68.55 -50.69 49.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.26 111.014 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -41.75 49.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.3599999999999999 111.013 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.48 93.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 1.1899999999999999 110.898 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -34.58 77.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.028 -0.533 . . . . 1.98 110.959 179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -75.85 -43.47 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 2.79 111.194 -179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -54.56 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 1.3400000000000001 110.955 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.74 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 3.3999999999999999 110.374 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.402 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -62.29 -37.0 83.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 2.0299999999999998 109.966 178.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.2 -44.86 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.006 -0.543 . . . . 1.3700000000000001 110.235 179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -31.01 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 2.54 109.683 179.009 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.86 -31.91 66.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.606 -0.724 . . . . 2.7599999999999998 110.29 179.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.476 ' CE1' HG22 ' A' ' 6' ' ' ILE . 25.3 p-80 -138.22 70.24 47.88 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.27 -0.423 . . . . 3.8700000000000001 111.038 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.61 -16.34 42.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.557 2.171 . . . . 2.5699999999999998 112.523 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.251 -0.88 . . . . 6.4699999999999998 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.85 0.357 . . . . 5.2000000000000002 111.167 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.27 -54.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 3.3799999999999999 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.43 49.55 25.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.76 -0.734 . . . . 2.2799999999999998 112.352 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -135.45 -84.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.071 0.462 . . . . 2.71 110.965 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.25 -43.77 0.29 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.745 -0.661 . . . . 2.6600000000000001 109.512 179.631 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.479 HG23 ' CE1' ' B' ' 31' ' ' HIS . 2.2 mt -64.4 -50.39 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 2.3300000000000001 109.758 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.18 -33.51 52.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.166 -0.924 . . . . 2.1499999999999999 111.065 179.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -78.05 -36.15 48.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 2.7799999999999998 110.446 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -39.6 82.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 2.8799999999999999 110.811 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.0 pt -70.07 -42.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.5600000000000001 111.166 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -47.96 -34.68 9.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.411 0.624 . . . . 1.48 109.947 179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.86 -48.88 64.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.369 -0.832 . . . . 1.4099999999999999 109.492 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 17' ' ' ILE . 38.6 mt -59.43 -47.41 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 1.1599999999999999 110.313 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -48.74 -33.12 9.64 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.129 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -28.39 60.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.078 0.466 . . . . 1.3500000000000001 110.351 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.0 mt-10 -85.35 -34.91 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.833 -0.621 . . . . 2.0699999999999998 110.934 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.1 mt -63.76 -32.16 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 1.54 110.705 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.87 -38.08 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 1.24 111.243 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -43.43 69.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.318 -0.401 . . . . 1.79 111.0 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' CB ' HG12 ' B' ' 17' ' ' ILE . 11.9 mt -69.59 -55.15 10.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 1.23 111.041 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -51.09 -33.28 25.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 2.1499999999999999 111.211 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.081 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.83 -33.55 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 2.1299999999999999 111.177 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -68.81 -45.37 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.371 . . . . 3.5 111.114 -179.828 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -56.34 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 1.4399999999999999 111.114 -179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -49.13 -41.84 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.088 0.471 . . . . 3.0099999999999998 110.359 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 15.3 mt -64.52 -39.07 93.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.803 -0.635 . . . . 1.96 110.109 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 40.4 t -61.01 -47.13 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.137 -0.483 . . . . 1.3400000000000001 110.346 179.323 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -51.58 -32.14 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.932 -0.576 . . . . 2.5899999999999999 109.845 179.051 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -69.35 -31.41 69.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.537 -0.756 . . . . 2.6800000000000002 110.378 179.143 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CE1' HG21 ' B' ' 6' ' ' ILE . 23.9 p-80 -137.49 73.25 49.43 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 116.298 -0.41 . . . . 3.0699999999999998 111.088 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.99 -71.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.519 2.146 . . . . 2.23 112.304 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 6.25 110.864 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 5.7999999999999998 110.883 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.14 95.81 2.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.721 -0.752 . . . . 3.3500000000000001 112.508 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -95.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 1.99 112.486 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -137.68 14.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 2.5899999999999999 111.394 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -52.02 -28.7 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.209 0.528 . . . . 2.2200000000000002 110.102 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.469 HG21 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mp -84.98 -43.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.471 -0.786 . . . . 2.1200000000000001 110.386 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -55.85 -29.39 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 1.9399999999999999 110.693 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -77.22 -42.17 38.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 2.79 110.226 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -61.76 -38.54 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 2.79 110.746 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.414 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 20.7 pt -70.19 -43.08 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 1.7 111.178 179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -49.74 -34.63 19.61 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 1.51 109.919 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.51 -46.15 73.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.842 . . . . 1.4399999999999999 109.288 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' B' ' 17' ' ' ILE . 16.2 mt -60.69 -44.99 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 1.22 110.166 178.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.413 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.7 t0 -49.31 -34.31 15.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 1.3200000000000001 110.936 179.485 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.19 -28.16 61.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 1.4199999999999999 110.306 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.8 mm-40 -84.81 -34.19 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 2.0299999999999998 110.94 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.0 mt -64.03 -32.57 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.6000000000000001 110.629 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -37.96 33.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 1.2 111.267 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.84 -44.33 73.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.5800000000000001 111.081 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.432 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.8 mt -68.06 -53.21 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.26 111.074 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -50.92 -30.34 14.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 2.3599999999999999 111.212 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.8 -31.49 59.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.1899999999999999 111.049 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -72.87 -32.37 65.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.012 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.08 -40.67 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 2.79 111.191 -179.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -55.44 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.3400000000000001 111.407 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 6.5 ptp85 -49.45 -41.69 40.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.971 0.415 . . . . 3.3999999999999999 110.543 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.6 mm? -63.44 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 2.0299999999999998 109.788 179.038 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.88 -45.39 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 1.3700000000000001 110.124 179.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -29.51 22.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.884 -0.598 . . . . 2.54 109.98 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -75.84 -30.1 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 2.7599999999999998 110.48 179.186 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.479 ' CE1' HG23 ' A' ' 6' ' ' ILE . 51.7 p-80 -141.9 61.31 12.48 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.367 -0.379 . . . . 3.8700000000000001 111.049 179.656 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.56 -39.57 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.655 2.237 . . . . 2.5699999999999998 112.384 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.205 -0.902 . . . . 6.4699999999999998 110.92 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.823 0.344 . . . . 5.2000000000000002 111.148 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.25 -155.54 51.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 3.3799999999999999 112.439 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.55 39.09 15.1 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.882 -0.675 . . . . 2.2799999999999998 112.296 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -123.69 -84.54 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 2.71 111.051 -179.315 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -142.94 -44.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 2.6600000000000001 109.489 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.477 HG23 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -65.13 -51.85 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 2.3300000000000001 109.65 178.723 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.47 63.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.169 -0.923 . . . . 2.1499999999999999 111.0 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -78.36 -32.95 49.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 2.7799999999999998 110.599 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -38.6 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 2.8799999999999999 110.789 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.94 -43.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 1.5600000000000001 111.19 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.01 -34.48 21.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.376 0.608 . . . . 1.48 109.929 179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.96 -46.71 73.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 1.4099999999999999 109.231 178.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' ILE . 24.0 mt -60.64 -47.15 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.487 -0.779 . . . . 1.1599999999999999 110.219 178.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.32 -32.42 7.39 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.305 -0.407 . . . . 1.29 111.062 179.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.93 -28.94 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 1.3500000000000001 110.397 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.7 mt-10 -84.66 -34.52 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 2.0699999999999998 110.972 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -63.76 -34.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 1.54 110.715 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -36.63 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.659 . . . . 1.24 111.292 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.02 -46.92 75.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 1.79 110.881 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 8.9 mt -64.89 -51.73 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 1.23 111.014 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -32.98 19.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 2.1499999999999999 111.237 -179.731 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -30.76 63.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 1.28 110.995 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -70.37 -31.18 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 2.1299999999999999 111.105 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -73.1 -48.09 38.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 3.5 111.212 -179.784 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -54.66 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 1.4399999999999999 111.266 -179.606 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -44.79 51.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 3.0099999999999998 110.412 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -37.29 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 1.96 110.064 179.268 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.423 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 39.0 t -62.62 -43.94 98.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 1.3400000000000001 110.116 179.218 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -32.62 35.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.882 -0.599 . . . . 2.5899999999999999 109.729 178.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.95 -32.01 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 2.6800000000000002 110.284 179.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' B' ' 6' ' ' ILE . 24.8 p-80 -136.95 72.66 54.19 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 116.324 -0.398 . . . . 3.0699999999999998 110.992 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.16 -32.59 8.29 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.624 2.216 . . . . 2.23 112.336 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.094 -0.503 . . . . 6.25 110.913 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 5.7999999999999998 110.853 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.88 -69.38 0.44 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.764 -0.731 . . . . 3.3500000000000001 112.536 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.36 -154.4 37.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 1.99 112.477 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.48 13.98 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.672 0.272 . . . . 2.5899999999999999 111.38 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -52.67 -29.56 27.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.183 0.516 . . . . 2.2200000000000002 109.971 179.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 31' ' ' HIS . 2.4 mp -78.35 -45.18 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.431 -0.804 . . . . 2.1200000000000001 110.276 179.151 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -28.65 57.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 1.9399999999999999 110.743 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -78.32 -41.05 34.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 2.79 110.312 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.56 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.769 -0.651 . . . . 2.79 110.745 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.402 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.4 pt -69.55 -42.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.7 110.96 179.747 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.3 t0 -50.05 -34.34 21.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.393 0.616 . . . . 1.51 109.813 179.55 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.66 -46.28 76.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.342 -0.845 . . . . 1.4399999999999999 109.168 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.478 ' O ' HG13 ' B' ' 17' ' ' ILE . 29.7 mt -60.37 -45.89 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.333 -0.849 . . . . 1.22 110.122 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -48.84 -32.77 9.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 1.3200000000000001 110.87 179.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -28.39 59.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 1.4199999999999999 110.368 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.3 mt-10 -85.44 -34.47 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 2.0299999999999998 110.992 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.2 mt -64.12 -33.35 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 1.6000000000000001 110.655 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -36.6 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.654 . . . . 1.2 111.08 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.36 -44.19 71.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.805 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CB ' HG12 ' A' ' 17' ' ' ILE . 6.7 mt -68.89 -50.71 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 1.26 110.851 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.24 -32.11 35.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 2.3599999999999999 111.031 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -31.16 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 1.1899999999999999 110.875 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -70.04 -31.87 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 1.98 111.019 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -72.15 -45.39 60.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.369 . . . . 2.79 111.001 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -54.08 48.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.3400000000000001 111.284 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -50.71 -44.73 58.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.079 0.466 . . . . 3.3999999999999999 110.447 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.05 -36.25 81.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.869 -0.605 . . . . 2.0299999999999998 110.068 179.155 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 38.5 t -64.46 -45.62 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 116.16 -0.473 . . . . 1.3700000000000001 110.291 179.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -29.87 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 2.54 109.987 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.39 -30.49 60.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.664 -0.698 . . . . 2.7599999999999998 110.482 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.477 ' CE1' HG23 ' A' ' 6' ' ' ILE . 54.5 p-80 -142.69 61.9 11.8 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 3.8700000000000001 111.085 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.48 -43.08 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.562 2.175 . . . . 2.5699999999999998 112.419 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.246 -0.883 . . . . 6.4699999999999998 110.927 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.78 0.324 . . . . 5.2000000000000002 111.188 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.61 -112.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 3.3799999999999999 112.476 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.26 57.16 5.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 2.2799999999999998 112.493 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.64 17.12 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 2.71 111.397 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -27.16 40.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 2.6600000000000001 110.142 179.612 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.483 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.5 mt -80.15 -46.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.54 -0.755 . . . . 2.3300000000000001 110.372 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.74 -29.97 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 2.1499999999999999 110.706 179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -78.36 -40.64 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 2.7799999999999998 110.244 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -63.05 -36.48 83.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.762 -0.654 . . . . 2.8799999999999999 110.76 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.3 pt -71.6 -42.96 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.5600000000000001 111.12 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.2 t70 -51.11 -33.85 28.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 1.48 109.97 179.547 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.05 -46.9 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.332 -0.849 . . . . 1.4099999999999999 109.3 178.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.3 mt -60.63 -45.94 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.418 -0.81 . . . . 1.1599999999999999 110.167 178.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -48.45 -33.51 9.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.211 -0.45 . . . . 1.29 111.023 179.585 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.24 -28.85 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 1.3500000000000001 110.333 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.4 mm-40 -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 2.0699999999999998 111.057 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -66.06 -32.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.771 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 -37.71 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 1.24 111.281 -179.69 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.98 -44.88 71.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 1.79 110.879 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.5 mt -68.21 -52.02 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 1.23 111.025 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.64 -33.59 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 2.1499999999999999 111.291 -179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.13 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.28 111.13 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -34.87 75.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 2.1299999999999999 111.154 -179.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 1.0 OUTLIER -69.75 -46.06 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 3.5 111.267 -179.65 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -55.34 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 1.4399999999999999 111.253 -179.605 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -50.23 -43.68 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 3.0099999999999998 110.459 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.2 mp -63.44 -37.86 88.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 1.96 110.114 179.213 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 41.9 t -61.31 -46.91 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.248 -0.433 . . . . 1.3400000000000001 110.361 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -32.47 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 2.5899999999999999 109.714 179.064 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.99 -31.74 70.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.565 -0.743 . . . . 2.6800000000000002 110.343 179.155 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.465 ' CE1' ' CG2' ' B' ' 6' ' ' ILE . 18.8 p-80 -138.19 74.14 42.98 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.297 -0.41 . . . . 3.0699999999999998 110.99 179.541 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.16 -27.38 41.63 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.578 2.185 . . . . 2.23 112.354 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 6.25 110.932 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 5.7999999999999998 110.898 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.97 154.01 17.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.796 -0.716 . . . . 3.3500000000000001 112.424 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.79 80.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 1.99 112.492 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.69 16.78 9.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 2.5899999999999999 111.412 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -54.18 -28.35 39.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.113 0.482 . . . . 2.2200000000000002 110.142 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.465 ' CG2' ' CE1' ' A' ' 31' ' ' HIS . 21.6 mt -79.99 -45.3 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.541 -0.754 . . . . 2.1200000000000001 110.472 179.413 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -32.44 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 1.9399999999999999 110.704 179.627 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -76.01 -41.32 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 2.79 110.319 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -38.1 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.767 -0.651 . . . . 2.79 110.844 179.721 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.8 pt -71.08 -43.64 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 1.7 111.162 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -49.01 -35.0 14.34 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.388 0.613 . . . . 1.51 110.012 179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.79 -48.57 68.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.406 -0.815 . . . . 1.4399999999999999 109.463 178.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.507 ' O ' HG13 ' B' ' 17' ' ' ILE . 29.4 mt -59.98 -44.59 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.471 -0.786 . . . . 1.22 110.17 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -48.6 -34.22 11.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.239 -0.437 . . . . 1.3200000000000001 110.946 179.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.55 -28.8 61.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 1.4199999999999999 110.305 179.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.4 mm-40 -84.95 -32.8 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 2.0299999999999998 111.07 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -65.95 -31.97 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 1.6000000000000001 110.725 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.23 -38.09 31.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 1.2 111.227 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.61 -44.12 69.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.5800000000000001 111.013 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.429 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.6 mt -69.44 -52.39 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 1.26 110.959 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.2 -32.09 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 2.3599999999999999 111.262 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.31 63.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.1899999999999999 111.13 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -72.53 -32.62 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.98 111.299 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.47 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.47 -47.17 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 2.79 111.353 -179.724 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -56.1 25.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 1.3400000000000001 111.159 -179.527 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.44 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.07 0.462 . . . . 3.3999999999999999 110.276 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.446 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 27.8 mt -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 2.0299999999999998 110.079 179.081 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.41 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 21.5 t -64.57 -46.64 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 121.018 0.437 . . . . 1.3700000000000001 110.393 179.313 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -50.67 -30.71 14.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 2.54 110.045 179.32 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.12 -33.47 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.753 -0.658 . . . . 2.7599999999999998 110.466 179.282 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.483 ' CE1' HG22 ' A' ' 6' ' ' ILE . 30.5 p-80 -133.44 68.37 76.74 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-O 120.984 0.421 . . . . 3.8700000000000001 111.128 179.519 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.38 -27.18 13.6 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 2.5699999999999998 112.326 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.287 -0.864 . . . . 6.4699999999999998 110.904 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.879 0.371 . . . . 5.2000000000000002 111.207 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.66 96.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.65 -0.786 . . . . 3.3799999999999999 112.606 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.34 47.94 34.32 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.756 -0.735 . . . . 2.2799999999999998 112.36 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -138.49 -83.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 2.71 110.965 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -145.46 -44.45 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 2.6600000000000001 109.592 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.472 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.4 mt -63.82 -48.37 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.683 . . . . 2.3300000000000001 109.897 178.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -49.71 -30.58 9.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.311 -0.859 . . . . 2.1499999999999999 111.156 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -76.92 -36.12 56.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.09 0.471 . . . . 2.7799999999999998 110.297 179.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -59.43 -42.06 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.652 . . . . 2.8799999999999999 110.76 179.773 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -68.3 -43.01 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 1.5600000000000001 111.222 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -48.15 -34.95 10.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.422 0.63 . . . . 1.48 109.962 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -46.85 71.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.855 . . . . 1.4099999999999999 109.424 178.719 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 17' ' ' ILE . 17.9 mt -59.99 -48.23 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.578 -0.737 . . . . 1.1599999999999999 110.349 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.73 -31.97 7.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.004 179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.6 -28.59 58.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 1.3500000000000001 110.282 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -85.31 -34.99 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 2.0699999999999998 111.03 -179.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.4 mt -64.29 -33.13 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 1.54 110.786 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -37.69 34.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 1.24 111.236 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -44.22 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 1.79 110.825 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CB ' HG12 ' B' ' 17' ' ' ILE . 7.7 mt -68.7 -50.13 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 1.23 110.914 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.52 -34.83 38.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 2.1499999999999999 111.18 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 1.28 111.003 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -66.05 -31.61 72.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 2.1299999999999999 111.002 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -74.49 -46.01 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 3.5 111.12 -179.798 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -55.59 31.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 1.4399999999999999 111.119 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.47 -42.67 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.091 0.472 . . . . 3.0099999999999998 110.403 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 16.9 mt -63.86 -36.72 84.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.879 -0.601 . . . . 1.96 110.112 179.139 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.5 t -64.46 -46.19 93.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 116.134 -0.485 . . . . 1.3400000000000001 110.337 179.202 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.49 -30.85 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 2.5899999999999999 110.079 179.18 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -74.61 -30.22 61.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.676 -0.693 . . . . 2.6800000000000002 110.501 179.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CE1' HG23 ' B' ' 6' ' ' ILE . 47.1 p-80 -144.06 63.21 11.3 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 120.843 0.354 . . . . 3.0699999999999998 111.03 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.56 -28.78 11.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.222 . . . . 2.23 112.346 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 6.25 110.842 -179.922 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.854 0.359 . . . . 5.7999999999999998 110.858 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.75 -162.3 33.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 3.3500000000000001 112.443 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.2 12.97 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.859 -0.686 . . . . 1.99 112.498 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -128.83 -84.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.098 0.475 . . . . 2.5899999999999999 111.053 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.19 -45.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 2.2200000000000002 109.431 179.616 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 31' ' ' HIS . 2.5 mt -63.35 -49.8 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 115.613 -0.721 . . . . 2.1200000000000001 109.554 178.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -32.99 64.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.082 -0.963 . . . . 1.9399999999999999 111.052 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.08 -34.87 59.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 2.79 110.399 179.731 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.55 91.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.919 -0.582 . . . . 2.79 110.811 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.416 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.8 pt -71.84 -43.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 1.7 111.238 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.5 m-20 -50.55 -34.06 24.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.341 0.591 . . . . 1.51 109.895 179.725 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.09 -47.77 70.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.433 -0.803 . . . . 1.4399999999999999 109.326 178.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.488 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.6 mt -60.27 -46.92 94.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.419 -0.809 . . . . 1.22 110.293 178.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -48.18 -32.65 7.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.343 -0.389 . . . . 1.3200000000000001 111.083 179.598 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -29.06 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.4199999999999999 110.394 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.65 -34.84 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 2.0299999999999998 111.041 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.3 mt -63.65 -34.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 1.6000000000000001 110.698 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.56 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.768 -0.651 . . . . 1.2 111.36 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.8 -48.86 72.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 1.5800000000000001 110.79 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.7 mt -62.7 -51.77 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 1.26 110.979 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.81 -30.24 9.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.465 . . . . 2.3599999999999999 111.089 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.22 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 1.1899999999999999 110.834 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -66.96 -34.13 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 1.98 111.116 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 2.79 111.245 -179.711 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -54.27 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.362 . . . . 1.3400000000000001 111.229 -179.622 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 ptt85 -51.3 -44.42 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.3999999999999999 110.513 -179.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.1 mp -62.54 -35.87 80.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 2.0299999999999998 110.079 179.148 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 41.4 t -64.28 -45.38 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.23 -0.441 . . . . 1.3700000000000001 110.187 179.443 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.17 -30.51 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 2.54 109.978 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.27 -29.73 60.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.734 -0.666 . . . . 2.7599999999999998 110.493 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.472 ' CE1' HG22 ' A' ' 6' ' ' ILE . 53.7 p-80 -141.89 63.0 15.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.339 -0.391 . . . . 3.8700000000000001 111.043 179.708 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.18 -27.23 29.48 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.632 2.222 . . . . 2.5699999999999998 112.323 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.203 -0.903 . . . . 6.4699999999999998 110.866 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.783 0.325 . . . . 5.2000000000000002 111.216 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.25 96.87 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 3.3799999999999999 112.456 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.29 97.51 2.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 2.2799999999999998 112.407 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.91 16.52 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 2.71 111.452 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -26.41 41.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.119 0.485 . . . . 2.6600000000000001 110.204 179.642 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.487 HG22 ' CE1' ' B' ' 31' ' ' HIS . 23.3 mt -78.92 -45.18 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.575 -0.739 . . . . 2.3300000000000001 110.361 179.465 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.28 -29.91 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.663 -0.698 . . . . 2.1499999999999999 110.698 179.624 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.42 -38.48 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 2.7799999999999998 110.206 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -37.19 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.663 . . . . 2.8799999999999999 110.672 179.798 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.6 pt -70.42 -43.48 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 1.5600000000000001 111.078 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -50.08 -34.39 21.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.382 0.61 . . . . 1.48 109.809 179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.54 -46.79 74.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.344 -0.844 . . . . 1.4099999999999999 109.368 178.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' ILE . 29.2 mt -61.33 -46.29 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.458 -0.792 . . . . 1.1599999999999999 110.125 178.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' CA ' ' HD2' ' B' ' 24' ' ' ARG . 0.9 OUTLIER -48.39 -32.21 7.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.941 179.535 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -29.24 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 1.3500000000000001 110.315 179.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.92 -32.14 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.576 . . . . 2.0699999999999998 111.044 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.9 mt -66.14 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.106 0.479 . . . . 1.54 110.673 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.01 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.711 . . . . 1.24 111.186 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -44.0 70.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 1.79 110.837 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HG ' HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.83 -50.62 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.23 110.83 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -34.73 34.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 2.1499999999999999 111.022 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.52 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 1.28 110.902 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.97 -35.74 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 2.1299999999999999 111.039 179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -67.06 -46.71 73.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 3.5 111.101 -179.899 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -54.42 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 1.4399999999999999 111.287 -179.616 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.7 ptm85 -50.53 -44.8 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.042 0.449 . . . . 3.0099999999999998 110.375 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -60.8 -36.79 79.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.925 -0.58 . . . . 1.96 109.941 178.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.432 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 31.0 t -65.68 -43.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.066 -0.515 . . . . 1.3400000000000001 110.159 179.193 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -28.89 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 2.5899999999999999 109.933 179.041 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.34 -33.09 55.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 2.6800000000000002 110.546 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' HG22 ' B' ' 6' ' ' ILE . 28.9 p-80 -133.15 59.63 43.28 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.379 -0.373 . . . . 3.0699999999999998 111.077 179.637 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -77.9 174.62 12.28 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.638 2.225 . . . . 2.23 112.389 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.288 0 CA-C-N 116.15 -0.477 . . . . 6.25 111.476 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.826 0.346 . . . . 5.7999999999999998 110.912 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.71 -53.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 3.3500000000000001 112.441 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.41 -133.6 6.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 1.99 112.551 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -93.65 14.57 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.676 0.274 . . . . 2.5899999999999999 111.345 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.03 -28.85 26.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.197 0.522 . . . . 2.2200000000000002 110.029 179.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.49 HG22 ' CE1' ' A' ' 31' ' ' HIS . 25.7 mt -79.63 -44.72 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.471 -0.786 . . . . 2.1200000000000001 110.372 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.43 -28.66 55.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.635 -0.711 . . . . 1.9399999999999999 110.636 179.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -40.44 29.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 2.79 110.175 179.464 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.75 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 2.79 110.734 179.725 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.3 pt -70.99 -43.58 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 1.7 111.07 179.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 77.7 m-20 -50.52 -34.57 25.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.398 0.618 . . . . 1.51 109.805 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.23 -45.8 79.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.261 -0.881 . . . . 1.4399999999999999 109.163 178.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.485 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.5 mt -61.13 -46.32 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.401 -0.818 . . . . 1.22 110.099 178.851 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -48.32 -32.24 7.14 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.3200000000000001 110.955 179.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.67 -28.74 56.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 1.4199999999999999 110.488 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -84.74 -32.32 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 2.0299999999999998 110.92 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.6 mt -65.81 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 1.6000000000000001 110.626 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.78 47.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.632 -0.713 . . . . 1.2 111.454 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.86 -45.18 70.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 1.5800000000000001 110.882 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.426 HD11 ' HG ' ' A' ' 20' ' ' LEU . 4.5 mt -66.67 -51.27 58.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 1.26 110.869 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -35.41 25.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 2.3599999999999999 111.157 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.55 74.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.1899999999999999 110.993 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -65.5 -33.13 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.006 -0.543 . . . . 1.98 111.043 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.425 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.5 mtp-105 -71.39 -44.7 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 2.79 111.185 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -55.48 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 1.3400000000000001 111.052 -179.723 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -49.52 -42.09 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 3.3999999999999999 110.336 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.425 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 12.0 mt -64.51 -39.25 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.922 -0.581 . . . . 2.0299999999999998 109.976 179.118 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -61.69 -42.48 94.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 1.3700000000000001 110.226 179.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -35.0 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.877 -0.601 . . . . 2.54 109.655 179.168 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -67.9 -31.43 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.671 -0.695 . . . . 2.7599999999999998 110.298 179.04 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.487 ' CE1' HG22 ' A' ' 6' ' ' ILE . 26.5 p-80 -137.83 81.27 28.7 Favored Pre-proline 0 C--N 1.333 -0.123 0 CA-C-N 116.304 -0.407 . . . . 3.8700000000000001 111.058 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.06 -168.03 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.621 2.214 . . . . 2.5699999999999998 112.258 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.176 -0.916 . . . . 6.4699999999999998 110.925 -179.961 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.817 0.342 . . . . 5.2000000000000002 111.199 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.78 -143.08 14.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 3.3799999999999999 112.502 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.41 33.31 24.41 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.748 -0.739 . . . . 2.2799999999999998 112.205 -179.766 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -119.47 -84.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 2.71 111.165 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -144.75 -45.05 0.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 2.6600000000000001 109.465 179.735 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.483 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.62 -52.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 2.3300000000000001 109.541 178.719 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.25 -33.32 65.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.114 -0.948 . . . . 2.1499999999999999 111.03 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -78.07 -36.34 48.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 2.7799999999999998 110.69 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -40.16 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 2.8799999999999999 110.772 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -69.9 -42.84 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 1.5600000000000001 111.301 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.06 -34.03 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.307 0.575 . . . . 1.48 110.039 179.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -47.22 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.436 -0.802 . . . . 1.4099999999999999 109.276 178.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 29.1 mt -60.54 -46.8 94.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 1.1599999999999999 110.238 178.899 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -48.54 -33.04 8.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.338 -0.392 . . . . 1.29 111.006 179.588 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.7 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 1.3500000000000001 110.341 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.13 -35.04 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.605 . . . . 2.0699999999999998 111.058 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.8 mt -63.91 -32.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 1.54 110.802 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.84 -37.85 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 1.24 111.182 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.77 -43.35 69.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 1.79 110.893 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.7 mt -70.34 -53.32 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 1.23 110.899 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.54 40.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 2.1499999999999999 111.228 -179.775 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.77 64.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.28 111.096 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -74.24 -32.38 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 2.1299999999999999 111.12 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -72.5 -41.29 66.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 3.5 111.135 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -55.74 16.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.392 . . . . 1.4399999999999999 111.38 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.87 -42.83 37.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.076 0.465 . . . . 3.0099999999999998 110.415 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.14 -38.91 90.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.816 -0.629 . . . . 1.96 109.868 178.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 39.1 t -62.79 -45.54 98.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.068 -0.515 . . . . 1.3400000000000001 110.202 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.23 -28.13 17.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.85 -0.614 . . . . 2.5899999999999999 109.91 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -76.23 -30.6 57.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.639 -0.709 . . . . 2.6800000000000002 110.427 179.307 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' HG21 ' B' ' 6' ' ' ILE . 23.5 p-80 -137.71 62.84 37.11 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.859 0.361 . . . . 3.0699999999999998 110.992 179.631 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.35 -28.51 10.34 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.652 2.235 . . . . 2.23 112.375 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 6.25 110.905 -179.978 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.339 . . . . 5.7999999999999998 110.915 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.34 -155.95 6.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 3.3500000000000001 112.477 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.02 -143.03 14.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 1.99 112.546 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.93 13.35 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.674 0.273 . . . . 2.5899999999999999 111.378 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -28.83 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 2.2200000000000002 110.004 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.476 HG21 ' CE1' ' A' ' 31' ' ' HIS . 27.1 mt -78.1 -44.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.455 -0.793 . . . . 2.1200000000000001 110.218 179.072 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.69 -29.2 62.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 1.9399999999999999 110.796 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.9 -43.85 24.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.204 0.526 . . . . 2.79 110.27 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -35.08 74.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.68 -0.691 . . . . 2.79 110.828 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.4 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.6 pt -71.85 -43.79 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.418 -0.356 . . . . 1.7 111.135 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.9 t70 -48.86 -34.69 13.06 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.308 0.575 . . . . 1.51 109.738 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.02 -48.24 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 1.4399999999999999 109.529 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 35.0 mt -60.16 -47.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 1.22 110.362 179.129 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -48.11 -33.4 8.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.934 0.397 . . . . 1.3200000000000001 111.113 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.31 -29.05 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 1.4199999999999999 110.38 179.643 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.4 mt-10 -84.5 -33.67 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 2.0299999999999998 110.98 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.6 mt -64.78 -32.92 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.758 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.12 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.771 -0.65 . . . . 1.2 111.401 -179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -45.69 72.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.5800000000000001 110.969 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.3 mt -66.52 -52.07 49.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.973 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -34.53 19.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 2.3599999999999999 111.171 -179.713 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.09 71.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 1.1899999999999999 110.996 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.98 111.121 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.475 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.7 OUTLIER -74.81 -48.07 27.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 2.79 111.206 -179.761 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -53.33 59.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 1.3400000000000001 111.28 -179.574 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.73 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 3.3999999999999999 110.457 -179.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 8.9 mt -62.53 -34.95 77.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 2.0299999999999998 110.165 179.243 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 t -65.43 -45.77 92.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 1.3700000000000001 110.298 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -51.14 -31.29 19.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.875 -0.602 . . . . 2.54 109.958 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 2.7599999999999998 110.432 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.483 ' CE1' HG22 ' A' ' 6' ' ' ILE . 48.5 p-80 -142.56 64.51 15.93 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 3.8700000000000001 111.069 179.773 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 -38.68 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.57 2.18 . . . . 2.5699999999999998 112.377 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.226 -0.892 . . . . 6.4699999999999998 110.84 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.82 0.343 . . . . 5.2000000000000002 111.176 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.81 172.8 47.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 3.3799999999999999 112.499 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.45 37.98 10.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 2.2799999999999998 112.465 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.65 17.07 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 2.71 111.448 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -28.4 43.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.137 0.494 . . . . 2.6600000000000001 110.085 179.62 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.481 HG21 ' CE1' ' B' ' 31' ' ' HIS . 1.6 mp -78.52 -45.92 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.491 -0.777 . . . . 2.3300000000000001 110.341 179.344 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.54 -24.85 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 2.1499999999999999 110.907 179.647 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -78.34 -42.0 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 2.7799999999999998 110.413 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -61.37 -37.12 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 2.8799999999999999 110.887 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.68 -43.42 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 1.5600000000000001 111.16 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 27.5 t0 -50.12 -34.49 22.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.937 179.682 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.59 -47.72 71.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.409 -0.814 . . . . 1.4099999999999999 109.335 178.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' ILE . 22.2 mt -60.63 -46.84 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.4 -0.818 . . . . 1.1599999999999999 110.253 178.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -48.18 -32.28 6.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.307 -0.406 . . . . 1.29 111.074 179.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -29.27 58.01 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.152 -0.476 . . . . 1.3500000000000001 110.429 179.541 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.41 -34.07 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 2.0699999999999998 111.077 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.7 mt -64.66 -34.58 70.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 1.54 110.797 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.45 -37.52 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 1.24 111.399 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 1.79 110.815 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.414 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.2 mt -66.53 -50.68 62.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 1.23 111.001 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.92 -36.11 26.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 2.1499999999999999 111.179 -179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.49 79.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 1.28 110.936 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -34.76 78.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 2.1299999999999999 111.008 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -71.67 -46.63 58.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 3.5 111.206 -179.649 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -55.54 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 1.4399999999999999 111.315 -179.521 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -44.43 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 3.0099999999999998 110.425 -179.774 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.1 OUTLIER -62.1 -37.68 85.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 1.96 109.957 179.085 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 43.4 t -61.83 -44.32 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.983 0.42 . . . . 1.3400000000000001 110.145 179.336 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -32.28 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 2.5899999999999999 109.753 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.2 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 2.6800000000000002 110.304 179.085 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' CE1' HG23 ' B' ' 6' ' ' ILE . 24.0 p-80 -137.6 71.32 51.59 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.37 -0.377 . . . . 3.0699999999999998 110.978 179.6 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.53 60.33 5.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.607 2.204 . . . . 2.23 112.432 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 6.25 110.911 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.847 0.356 . . . . 5.7999999999999998 110.841 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.68 69.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 3.3500000000000001 112.478 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.58 42.71 2.17 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 1.99 112.568 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 62.26 17.52 9.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 2.5899999999999999 111.411 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.98 -29.99 45.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.483 . . . . 2.2200000000000002 110.078 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.475 HG23 ' CE1' ' A' ' 31' ' ' HIS . 2.6 mt -81.01 -44.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.536 -0.756 . . . . 2.1200000000000001 110.284 179.352 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -55.87 -26.04 45.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.7 . . . . 1.9399999999999999 110.849 179.628 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -79.0 -43.24 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 2.79 110.246 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -37.08 79.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.681 -0.69 . . . . 2.79 110.791 179.701 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.0 pt -69.88 -43.41 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.183 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.87 -35.07 13.91 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.394 0.616 . . . . 1.51 109.791 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.48 -47.93 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.366 -0.834 . . . . 1.4399999999999999 109.437 178.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' B' ' 17' ' ' ILE . 26.4 mt -60.1 -46.5 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 1.22 110.306 178.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.59 -32.2 7.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.261 -0.427 . . . . 1.3200000000000001 110.944 179.513 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.73 -28.86 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 1.4199999999999999 110.358 179.437 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mt-10 -85.08 -34.09 22.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 2.0299999999999998 111.08 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.1 mt -64.81 -33.87 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 1.6000000000000001 110.678 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -36.06 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.781 -0.645 . . . . 1.2 111.198 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.21 -46.1 72.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 1.5800000000000001 110.756 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.1 mt -67.04 -49.76 64.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 1.26 110.726 179.755 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.71 -34.25 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 2.3599999999999999 111.011 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.58 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.1899999999999999 110.997 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -65.83 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.98 110.901 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.465 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -71.27 -44.72 64.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 2.79 111.057 -179.893 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.81 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.3400000000000001 111.022 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.8 ptp180 -49.93 -42.63 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 3.3999999999999999 110.239 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 7.5 mt -63.44 -38.81 92.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.827 -0.624 . . . . 2.0299999999999998 109.976 179.081 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.9 t -63.33 -45.54 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.193 -0.458 . . . . 1.3700000000000001 110.159 179.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -51.83 -28.99 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 2.54 109.892 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.76 61.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.68 . . . . 2.7599999999999998 110.399 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.481 ' CE1' HG21 ' A' ' 6' ' ' ILE . 31.8 p-80 -140.94 61.73 15.33 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.286 -0.416 . . . . 3.8700000000000001 111.002 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.99 -37.31 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.638 2.225 . . . . 2.5699999999999998 112.443 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 6.4699999999999998 110.945 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.776 0.322 . . . . 5.2000000000000002 111.242 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.52 -42.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 3.3799999999999999 112.532 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.62 44.84 30.05 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.768 -0.729 . . . . 2.2799999999999998 112.285 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -132.94 -83.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.967 0.413 . . . . 2.71 111.047 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.13 -44.78 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.782 -0.644 . . . . 2.6600000000000001 109.506 179.67 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.7 mt -63.53 -49.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.607 -0.724 . . . . 2.3300000000000001 109.811 178.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -52.79 -26.66 15.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.265 -0.879 . . . . 2.1499999999999999 111.085 179.745 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -80.56 -39.18 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 2.7799999999999998 110.231 179.512 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.98 -35.53 77.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 2.8799999999999999 110.709 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.581 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 25.8 pt -70.89 -44.18 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 1.5600000000000001 111.223 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -49.84 -33.8 17.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.418 0.627 . . . . 1.48 109.868 179.541 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -44.97 74.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.858 . . . . 1.4099999999999999 109.481 178.828 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.499 ' O ' HG13 ' A' ' 17' ' ' ILE . 21.5 mt -61.96 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 1.1599999999999999 110.414 179.086 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 10.0 t70 -48.03 -32.27 6.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.381 -0.372 . . . . 1.29 111.107 179.663 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.44 -28.39 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.3500000000000001 110.253 179.474 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm-40 -85.19 -36.71 20.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 2.0699999999999998 110.937 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.9 mt -60.79 -34.96 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.194 0.521 . . . . 1.54 110.528 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.4 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 1.24 111.217 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.44 73.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.79 110.808 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' CB ' HG12 ' B' ' 17' ' ' ILE . 8.4 mt -67.11 -50.9 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 1.23 110.863 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -50.53 -31.25 15.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 2.1499999999999999 110.969 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.67 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 1.28 110.786 179.743 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -68.96 -35.75 77.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.1299999999999999 110.856 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -43.17 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 3.5 110.976 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -54.55 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 1.4399999999999999 111.31 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -49.13 -43.91 42.02 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.011 0.434 . . . . 3.0099999999999998 110.473 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.7 mp -62.22 -38.28 88.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.624 . . . . 1.96 109.896 179.085 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 38.2 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.086 -0.507 . . . . 1.3400000000000001 110.129 179.243 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.43 -31.28 33.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.885 -0.598 . . . . 2.5899999999999999 109.784 178.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -72.42 -31.35 65.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.589 -0.732 . . . . 2.6800000000000002 110.39 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' HG23 ' B' ' 6' ' ' ILE . 21.0 p-80 -137.82 69.34 51.24 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-N 116.351 -0.386 . . . . 3.0699999999999998 110.969 179.509 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.44 -26.23 82.29 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.62 2.213 . . . . 2.23 112.364 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 6.25 110.923 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.344 . . . . 5.7999999999999998 110.857 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.79 -133.21 11.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 3.3500000000000001 112.46 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.24 -137.28 13.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 1.99 112.489 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -118.62 14.69 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.71 0.29 . . . . 2.5899999999999999 111.342 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.76 -29.57 27.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 2.2200000000000002 110.079 179.617 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.468 HG23 ' CE1' ' A' ' 31' ' ' HIS . 26.6 mt -80.08 -44.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 2.1200000000000001 110.309 179.138 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -55.26 -27.72 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.549 -0.751 . . . . 1.9399999999999999 110.688 179.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -79.06 -43.39 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 2.79 110.125 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.32 -36.36 77.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.715 . . . . 2.79 110.808 179.682 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 pt -70.9 -43.61 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.359 -0.382 . . . . 1.7 111.068 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.35 -34.7 11.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.313 0.578 . . . . 1.51 109.817 179.574 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.7 -47.35 69.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.274 -0.875 . . . . 1.4399999999999999 109.619 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' O ' HG13 ' B' ' 17' ' ' ILE . 32.6 mt -60.83 -48.07 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 1.22 110.343 179.124 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.8 t0 -48.61 -32.33 8.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 1.3200000000000001 110.962 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -28.7 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 1.4199999999999999 110.324 179.567 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -84.25 -34.49 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.826 -0.624 . . . . 2.0299999999999998 110.836 -179.943 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 13' ' ' ILE . 13.7 mt -63.23 -35.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 1.6000000000000001 110.619 179.765 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.76 -34.93 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.635 -0.712 . . . . 1.2 111.159 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -44.61 73.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.5800000000000001 110.936 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.2 mt -68.2 -50.73 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 1.26 110.852 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.3 16.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 2.3599999999999999 111.163 -179.869 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.7 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 1.1899999999999999 111.001 179.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 1.98 110.931 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.581 ' CD ' ' HB ' ' A' ' 10' ' ' ILE . 1.8 tpt85 -64.8 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 2.79 111.125 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -59.11 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 1.3400000000000001 111.451 -179.721 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -47.57 -33.54 6.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.924 0.392 . . . . 3.3999999999999999 110.563 -179.754 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 10.1 mt -70.04 -40.99 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 2.0299999999999998 109.773 178.843 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.83 -50.69 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.882 -0.599 . . . . 1.3700000000000001 110.266 179.081 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.5 -30.01 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 2.54 109.877 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.04 -29.97 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 2.7599999999999998 110.308 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.462 ' CE1' HG22 ' A' ' 6' ' ' ILE . 56.3 p-80 -139.57 72.15 36.95 Favored Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 3.8700000000000001 110.993 179.644 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.87 -167.74 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.648 2.232 . . . . 2.5699999999999998 112.317 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 6.4699999999999998 110.874 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.818 0.342 . . . . 5.2000000000000002 111.218 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.09 -129.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 3.3799999999999999 112.469 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.47 35.68 10.75 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.842 -0.695 . . . . 2.2799999999999998 112.359 -179.784 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -122.77 -83.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.001 0.429 . . . . 2.71 111.054 -179.42 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -145.68 -45.12 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 2.6600000000000001 109.584 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.453 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -64.86 -50.84 73.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 2.3300000000000001 109.792 178.808 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -33.86 43.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.135 -0.939 . . . . 2.1499999999999999 111.062 179.796 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -35.77 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.987 0.422 . . . . 2.7799999999999998 110.518 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.15 -41.05 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 2.8799999999999999 110.816 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.7 pt -70.35 -42.76 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.5600000000000001 111.19 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -34.37 12.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.394 0.616 . . . . 1.48 110.027 179.549 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.81 -47.96 67.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.852 . . . . 1.4099999999999999 109.444 178.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 17' ' ' ILE . 18.6 mt -59.24 -48.14 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.537 -0.756 . . . . 1.1599999999999999 110.346 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -48.88 -32.42 8.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.283 -0.417 . . . . 1.29 111.016 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.83 -28.33 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 1.3500000000000001 110.35 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.7 mt-10 -85.52 -36.18 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.592 . . . . 2.0699999999999998 111.056 -179.853 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.2 mt -63.11 -32.29 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 1.54 110.795 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.2 -38.32 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 1.24 111.237 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -43.55 68.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 1.79 110.923 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.9 mt -69.42 -51.3 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 1.23 110.911 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -36.32 43.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 2.1499999999999999 111.102 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.33 -31.73 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 1.28 110.868 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.26 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 2.1299999999999999 111.025 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.9 OUTLIER -69.26 -45.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 3.5 111.184 -179.828 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -56.61 14.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 1.4399999999999999 111.238 -179.677 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -43.48 44.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.116 0.484 . . . . 3.0099999999999998 110.336 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER -62.18 -38.31 88.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 1.96 110.021 179.075 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.452 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 53.1 t -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.104 -0.498 . . . . 1.3400000000000001 110.219 179.35 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.0 -31.39 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 2.5899999999999999 109.717 178.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -70.65 -30.59 67.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.52 -0.764 . . . . 2.6800000000000002 110.447 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.478 ' CE1' HG21 ' B' ' 6' ' ' ILE . 25.6 p-80 -137.42 71.64 52.45 Favored Pre-proline 0 CA--C 1.528 0.133 0 CA-C-N 116.376 -0.374 . . . . 3.0699999999999998 111.077 179.541 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.61 158.27 43.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.581 2.187 . . . . 2.23 112.379 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 116.114 -0.494 . . . . 6.25 111.631 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.793 0.33 . . . . 5.7999999999999998 110.934 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.28 71.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 3.3500000000000001 112.48 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.05 -125.2 5.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 1.99 112.576 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.11 13.64 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.685 0.278 . . . . 2.5899999999999999 111.401 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -29.43 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.202 0.525 . . . . 2.2200000000000002 110.08 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.478 HG21 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mp -79.51 -44.05 23.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.441 -0.8 . . . . 2.1200000000000001 110.292 179.3 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.22 -27.16 53.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 1.9399999999999999 110.757 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -80.85 -41.61 22.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 2.79 110.169 179.427 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -34.81 76.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 2.79 110.692 179.656 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.6 pt -71.02 -43.84 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 1.7 111.2 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -49.89 -35.04 22.08 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.372 0.606 . . . . 1.51 109.697 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -45.69 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.203 -0.908 . . . . 1.4399999999999999 109.129 178.679 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 27.0 mt -61.31 -46.47 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 1.22 110.141 178.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -48.0 -32.49 6.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.32 -0.4 . . . . 1.3200000000000001 111.0 179.588 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -29.5 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.4199999999999999 110.37 179.582 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.9 mt-10 -84.11 -33.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 2.0299999999999998 111.033 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -65.28 -34.82 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 1.6000000000000001 110.79 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.12 48.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.644 -0.707 . . . . 1.2 111.256 -179.834 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -48.69 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 1.5800000000000001 110.781 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.2 mt -62.6 -51.75 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 1.26 110.918 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -48.81 -30.74 6.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 2.3599999999999999 111.029 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.83 -33.09 63.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 1.1899999999999999 110.777 179.624 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -66.42 -33.58 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.517 . . . . 1.98 111.005 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.2 mtp180 -73.13 -46.67 49.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 2.79 111.236 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -52.41 65.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 1.3400000000000001 111.249 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -51.8 -46.35 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 3.3999999999999999 110.457 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 6.4 mp -63.08 -35.69 81.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 2.0299999999999998 110.188 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.6 -46.56 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.961 0.41 . . . . 1.3700000000000001 110.234 179.451 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -51.95 -31.58 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 2.54 109.85 179.14 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -30.11 64.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.629 -0.714 . . . . 2.7599999999999998 110.485 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.453 ' CE1' HG22 ' A' ' 6' ' ' ILE . 35.9 p-80 -145.54 67.15 12.63 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-N 116.317 -0.401 . . . . 3.8700000000000001 111.125 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.58 60.82 5.18 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.584 2.19 . . . . 2.5699999999999998 112.435 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.274 -0.869 . . . . 6.4699999999999998 110.919 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.794 0.33 . . . . 5.2000000000000002 111.181 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.81 -79.37 1.12 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.739 -0.743 . . . . 3.3799999999999999 112.567 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.55 56.41 9.61 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.813 -0.708 . . . . 2.2799999999999998 112.335 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -141.1 -83.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.027 0.442 . . . . 2.71 110.883 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.9 -43.07 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.692 -0.685 . . . . 2.6600000000000001 109.386 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.473 HG21 ' CE1' ' B' ' 31' ' ' HIS . 1.8 mt -64.82 -51.03 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.512 -0.767 . . . . 2.3300000000000001 109.666 178.814 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -35.29 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.158 -0.928 . . . . 2.1499999999999999 111.19 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.1 -31.72 56.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 2.7799999999999998 110.594 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -40.41 93.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.555 . . . . 2.8799999999999999 110.797 179.833 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 17.4 pt -70.16 -43.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.5600000000000001 111.252 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.31 -34.44 15.6 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.412 0.625 . . . . 1.48 110.041 179.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -46.03 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.329 -0.85 . . . . 1.4099999999999999 109.387 178.853 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 17' ' ' ILE . 12.8 mt -60.77 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.556 -0.747 . . . . 1.1599999999999999 110.327 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -48.54 -32.13 7.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 1.29 110.992 179.615 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -28.46 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.3500000000000001 110.358 179.619 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' ILE . 7.4 mm-40 -85.54 -35.42 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 2.0699999999999998 111.002 -179.714 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.0 mt -63.28 -33.98 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 1.54 110.628 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.82 34.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 1.24 111.195 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -45.14 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 1.79 110.845 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 9.3 mt -67.16 -51.18 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 1.23 110.807 179.843 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -49.7 -34.8 19.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 2.1499999999999999 111.067 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.09 64.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.28 110.836 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -68.61 -31.2 70.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 2.1299999999999999 111.007 179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -72.63 -41.96 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 3.5 111.107 -179.83 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -56.6 11.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.4399999999999999 111.453 -179.593 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.12 -40.63 33.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.926 0.393 . . . . 3.0099999999999998 110.467 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.3 OUTLIER -63.63 -40.16 96.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 1.96 109.681 178.703 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 36.7 t -61.76 -43.64 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.96 -0.564 . . . . 1.3400000000000001 110.152 179.134 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.52 -29.84 27.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 2.5899999999999999 109.859 179.076 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -75.93 -29.84 58.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.66 -0.7 . . . . 2.6800000000000002 110.521 179.228 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.1 p-80 -139.19 60.32 17.07 Favored Pre-proline 0 CA--C 1.529 0.149 0 CA-C-N 116.348 -0.387 . . . . 3.0699999999999998 111.056 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.69 -34.29 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.666 2.244 . . . . 2.23 112.392 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.088 -0.505 . . . . 6.25 110.877 -179.922 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 5.7999999999999998 110.912 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.59 -92.13 2.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 3.3500000000000001 112.541 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 46.94 37.51 9.56 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.852 -0.69 . . . . 1.99 112.192 -179.769 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -123.07 -84.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.14 0.495 . . . . 2.5899999999999999 111.064 -179.248 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -141.46 -44.8 0.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.659 -0.7 . . . . 2.2200000000000002 109.411 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.476 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -62.6 -48.16 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 2.1200000000000001 109.871 178.756 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -32.84 54.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.324 -0.853 . . . . 1.9399999999999999 111.025 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.29 -37.37 37.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 2.79 110.3 179.435 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -62.46 -37.52 86.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.635 . . . . 2.79 110.647 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.3 pt -70.94 -43.35 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.7 111.113 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -34.69 19.69 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.45 0.643 . . . . 1.51 109.804 179.51 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.83 -45.71 77.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.271 -0.877 . . . . 1.4399999999999999 109.198 178.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.474 ' O ' HG13 ' B' ' 17' ' ' ILE . 21.9 mt -60.71 -47.45 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.478 -0.783 . . . . 1.22 110.2 178.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.57 -31.72 6.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.246 -0.434 . . . . 1.3200000000000001 110.986 179.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -28.86 56.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.4199999999999999 110.346 179.562 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.7 mt-10 -84.77 -34.19 22.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 2.0299999999999998 111.017 -179.844 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.474 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.5 mt -64.41 -35.3 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 1.6000000000000001 110.703 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.58 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 1.2 111.234 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.8 -48.41 72.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.5800000000000001 110.728 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.9 mt -62.95 -51.44 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 1.26 110.844 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.67 -31.46 6.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 2.3599999999999999 110.959 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.99 64.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 1.1899999999999999 110.791 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -66.61 -32.69 74.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 1.98 111.12 179.887 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.44 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 1.1 mtp180 -72.33 -46.88 53.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 2.79 111.21 -179.857 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.3400000000000001 111.115 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -51.94 -44.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 3.3999999999999999 110.551 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.411 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -63.52 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 2.0299999999999998 110.299 179.297 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.11 -46.6 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.288 -0.415 . . . . 1.3700000000000001 110.207 179.282 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -30.21 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 2.54 109.933 179.101 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.53 -30.58 63.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 2.7599999999999998 110.354 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.473 ' CE1' HG21 ' A' ' 6' ' ' ILE . 55.9 p-80 -144.88 64.47 11.34 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.22 -0.446 . . . . 3.8700000000000001 111.002 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.97 -29.24 12.25 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.567 2.178 . . . . 2.5699999999999998 112.361 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.195 -0.907 . . . . 6.4699999999999998 110.916 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.8 0.333 . . . . 5.2000000000000002 111.199 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.9 132.9 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 3.3799999999999999 112.532 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.32 -131.36 24.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.665 -0.779 . . . . 2.2799999999999998 112.474 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.1 14.09 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.683 0.278 . . . . 2.71 111.383 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -28.18 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.192 0.52 . . . . 2.6600000000000001 109.959 179.592 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.484 HG23 ' CE1' ' B' ' 31' ' ' HIS . 1.6 mp -78.66 -45.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.376 -0.829 . . . . 2.3300000000000001 110.238 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 2.1499999999999999 111.015 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -77.37 -40.34 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.488 . . . . 2.7799999999999998 110.175 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -61.05 -39.81 91.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.644 . . . . 2.8799999999999999 110.706 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.4 pt -69.8 -42.96 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 1.5600000000000001 111.245 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -35.61 13.38 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.424 0.63 . . . . 1.48 109.774 179.612 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 10.4 t0 -67.23 -45.15 77.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.196 -0.911 . . . . 1.4099999999999999 109.301 178.653 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.495 ' O ' HG13 ' A' ' 17' ' ' ILE . 11.1 mt -60.62 -47.68 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.433 -0.803 . . . . 1.1599999999999999 110.318 178.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.403 ' HB2' ' NE ' ' B' ' 24' ' ' ARG . 8.4 t0 -47.73 -34.03 7.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.264 -0.425 . . . . 1.29 111.155 179.729 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -74.74 -28.74 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 1.3500000000000001 110.439 179.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.0 mt-10 -85.86 -34.46 21.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.614 . . . . 2.0699999999999998 111.146 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.8 mt -64.05 -31.87 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 1.54 110.659 179.88 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.41 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 1.24 111.304 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.5 -43.36 68.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 1.79 111.005 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 10.8 mt -69.58 -52.43 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 1.23 111.068 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -52.07 -33.84 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 2.1499999999999999 111.225 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.27 -32.4 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 1.28 111.131 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.95 -32.41 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 2.1299999999999999 111.113 -179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.5 OUTLIER -70.34 -47.09 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 3.5 111.19 -179.837 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -54.66 43.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 1.4399999999999999 111.089 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -50.37 -43.74 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 3.0099999999999998 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 22.4 mt -62.62 -37.27 85.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.837 -0.62 . . . . 1.96 110.057 179.069 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.67 -44.93 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 1.3400000000000001 110.227 179.273 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -51.07 -29.86 14.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.826 -0.624 . . . . 2.5899999999999999 110.021 179.182 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 -33.44 61.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 2.6800000000000002 110.34 179.21 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' CE1' HG21 ' B' ' 6' ' ' ILE . 24.4 p-80 -136.91 63.85 46.79 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.893 0.378 . . . . 3.0699999999999998 111.073 179.618 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.03 173.9 12.14 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.585 2.19 . . . . 2.23 112.281 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 6.25 110.861 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.356 . . . . 5.7999999999999998 110.904 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.4 54.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 3.3500000000000001 112.517 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.29 -78.19 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 1.99 112.437 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.57 14.99 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.696 0.284 . . . . 2.5899999999999999 111.298 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -53.03 -29.08 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 2.2200000000000002 110.089 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.486 HG21 ' CE1' ' A' ' 31' ' ' HIS . 1.7 mt -79.62 -45.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.419 -0.809 . . . . 2.1200000000000001 110.355 179.199 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.03 -30.14 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 1.9399999999999999 110.719 179.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -39.58 41.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 2.79 110.183 179.482 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.11 -37.76 88.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 2.79 110.643 179.592 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -71.32 -42.94 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.7 111.195 179.835 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -50.76 -34.1 25.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.378 0.608 . . . . 1.51 109.913 179.672 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.6 -46.43 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.346 -0.843 . . . . 1.4399999999999999 109.321 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' B' ' 17' ' ' ILE . 20.7 mt -60.83 -46.9 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.469 -0.787 . . . . 1.22 110.214 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -48.44 -33.46 9.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 1.3200000000000001 111.097 179.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -28.41 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 1.4199999999999999 110.445 179.54 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -85.45 -34.01 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 2.0299999999999998 111.04 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.9 mt -64.07 -33.84 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 1.6000000000000001 110.606 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.11 34.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.638 . . . . 1.2 111.219 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -39.74 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 1.5800000000000001 111.214 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 13.3 mt -72.12 -55.83 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 1.26 111.181 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -49.41 -47.36 48.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 2.3599999999999999 111.195 -179.768 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.25 76.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 1.1899999999999999 110.993 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -35.18 77.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 1.98 110.974 179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.423 ' HG2' ' HB ' ' A' ' 10' ' ' ILE . 15.9 ttt180 -74.98 -42.27 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 2.79 111.286 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -55.77 26.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.3400000000000001 110.974 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.57 -42.31 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 3.3999999999999999 110.341 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.408 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mp -62.42 -37.75 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 2.0299999999999998 109.878 178.842 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.1 t -64.3 -46.17 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 1.3700000000000001 110.276 179.238 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -28.14 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 2.54 110.017 179.011 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -76.32 -31.3 58.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.673 -0.694 . . . . 2.7599999999999998 110.489 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.484 ' CE1' HG23 ' A' ' 6' ' ' ILE . 37.9 p-80 -138.51 61.09 22.91 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.344 -0.389 . . . . 3.8700000000000001 111.017 179.61 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.85 -26.69 5.31 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.594 2.196 . . . . 2.5699999999999998 112.401 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 6.4699999999999998 110.889 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.839 0.352 . . . . 5.2000000000000002 111.192 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.56 -66.64 1.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.716 -0.754 . . . . 3.3799999999999999 112.533 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.07 94.39 0.01 OUTLIER Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.808 -0.711 . . . . 2.2799999999999998 112.321 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -161.16 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.148 0.499 . . . . 2.71 110.885 -179.213 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -146.95 -44.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.544 -0.753 . . . . 2.6600000000000001 109.328 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -64.48 -50.49 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 2.3300000000000001 109.631 178.59 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -30.37 61.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.125 -0.943 . . . . 2.1499999999999999 110.986 179.796 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.05 -37.44 46.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.006 0.431 . . . . 2.7799999999999998 110.551 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -58.95 -41.01 86.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 2.8799999999999999 110.892 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -68.14 -43.01 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 1.5600000000000001 111.168 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.92 -34.54 13.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.433 0.635 . . . . 1.48 110.041 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.92 -48.59 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.381 -0.827 . . . . 1.4099999999999999 109.412 178.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.485 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 22.9 mt -60.05 -46.72 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 1.1599999999999999 110.157 178.954 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -48.5 -32.17 7.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.414 . . . . 1.29 110.95 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -29.3 59.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.3500000000000001 110.358 179.535 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 19.0 mt-10 -85.0 -33.21 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 2.0699999999999998 111.038 -179.9 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.3 mt -65.6 -33.32 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.075 0.464 . . . . 1.54 110.716 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.87 -36.95 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.772 -0.649 . . . . 1.24 111.222 -179.834 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.939 0.399 . . . . 1.79 110.797 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.7 mt -69.3 -49.03 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 1.23 110.68 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -52.23 -36.12 51.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 2.1499999999999999 111.006 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.34 91.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.28 110.984 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -65.18 -32.7 74.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 2.1299999999999999 110.907 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -41.06 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 3.5 110.94 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -56.81 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 1.4399999999999999 111.284 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -37.15 20.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.987 0.423 . . . . 3.0099999999999998 110.512 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 13.7 mt -66.78 -38.92 87.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.96 109.682 178.718 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.42 -44.21 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 115.849 -0.614 . . . . 1.3400000000000001 110.172 179.057 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.74 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 2.5899999999999999 109.911 179.03 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.81 -29.85 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.674 -0.693 . . . . 2.6800000000000002 110.491 179.263 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' CE1' HG23 ' B' ' 6' ' ' ILE . 49.7 p-80 -141.12 61.08 13.56 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.898 0.38 . . . . 3.0699999999999998 111.115 179.663 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.28 -30.92 3.08 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.658 2.239 . . . . 2.23 112.399 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 6.25 110.871 -179.94 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.739 0.304 . . . . 5.7999999999999998 110.822 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.56 -73.54 0.61 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 3.3500000000000001 112.501 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.0 43.01 16.63 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.895 -0.669 . . . . 1.99 112.44 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -130.73 -84.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 2.5899999999999999 111.034 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.43 -44.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.676 . . . . 2.2200000000000002 109.48 179.616 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -62.56 -47.8 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.581 -0.736 . . . . 2.1200000000000001 109.772 178.798 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -29.77 37.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.24 -0.891 . . . . 1.9399999999999999 111.108 179.934 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.22 -38.83 50.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.089 0.471 . . . . 2.79 110.418 179.647 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.45 -41.53 89.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.808 -0.633 . . . . 2.79 110.758 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.405 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 16.9 pt -68.31 -43.25 84.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 1.7 111.138 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -47.82 -34.79 9.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.387 0.613 . . . . 1.51 110.063 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.78 -49.34 66.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.394 -0.821 . . . . 1.4399999999999999 109.562 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.492 ' O ' HG13 ' B' ' 17' ' ' ILE . 39.4 mt -59.69 -46.99 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.527 -0.76 . . . . 1.22 110.252 178.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -48.25 -32.35 7.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 1.3200000000000001 111.06 179.617 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.03 -29.07 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 1.4199999999999999 110.347 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -84.85 -33.34 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 110.976 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.5 mt -65.73 -33.34 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 1.6000000000000001 110.738 179.868 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.43 -36.67 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.648 . . . . 1.2 111.301 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -46.03 69.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.943 0.401 . . . . 1.5800000000000001 110.744 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.434 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.1 mt -67.38 -49.06 65.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 1.26 110.781 179.677 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -50.52 -36.08 32.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 2.3599999999999999 110.975 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.0 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 1.1899999999999999 110.764 179.704 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.08 -33.92 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.98 110.895 179.867 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.485 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -72.98 -45.87 55.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 2.79 110.939 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -52.46 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 1.3400000000000001 111.209 -179.745 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.1 ptm180 -51.76 -44.65 63.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.014 0.435 . . . . 3.3999999999999999 110.525 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.41 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.43 -35.15 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.935 -0.575 . . . . 2.0299999999999998 110.125 179.298 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.67 -43.74 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.288 -0.415 . . . . 1.3700000000000001 110.264 179.344 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -52.74 -33.88 50.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 2.54 109.742 179.102 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -30.53 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.621 -0.718 . . . . 2.7599999999999998 110.324 179.18 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.463 ' CE1' HG21 ' A' ' 6' ' ' ILE . 51.9 p-80 -143.41 71.45 17.82 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-N 116.257 -0.428 . . . . 3.8700000000000001 110.939 179.6 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 -27.12 64.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.6 2.2 . . . . 2.5699999999999998 112.36 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.236 -0.888 . . . . 6.4699999999999998 110.915 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.78 0.324 . . . . 5.2000000000000002 111.162 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.54 0.33 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 3.3799999999999999 112.517 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.86 -131.22 10.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 2.2799999999999998 112.482 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.0 15.03 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.662 0.268 . . . . 2.71 111.328 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -29.64 32.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.227 0.537 . . . . 2.6600000000000001 110.025 179.515 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.492 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.7 mp -78.16 -45.39 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.36 -0.837 . . . . 2.3300000000000001 110.257 179.191 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -55.54 -23.91 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 2.1499999999999999 110.911 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.147 0.499 . . . . 2.7799999999999998 110.004 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -61.16 -36.24 79.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.609 -0.723 . . . . 2.8799999999999999 110.701 179.591 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.618 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 26.1 pt -68.98 -44.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 1.5600000000000001 111.065 179.783 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.0 t70 -49.61 -34.03 16.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.422 0.629 . . . . 1.48 109.714 179.477 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 1.4099999999999999 109.51 178.756 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' O ' HG13 ' A' ' 17' ' ' ILE . 23.1 mt -60.22 -50.1 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 1.1599999999999999 110.487 179.108 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -48.79 -31.56 7.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 1.29 111.1 179.71 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.36 -27.88 59.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.459 . . . . 1.3500000000000001 110.269 179.47 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 11.9 mt-10 -85.29 -37.63 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 2.0699999999999998 110.821 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.5 mt -60.72 -33.13 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 1.54 110.508 179.703 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.3 -36.68 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.674 -0.693 . . . . 1.24 111.355 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -46.15 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 1.79 110.862 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CB ' HG12 ' B' ' 17' ' ' ILE . 8.5 mt -67.29 -51.09 57.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 1.23 110.883 179.751 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -33.67 24.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 2.1499999999999999 111.05 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.88 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 1.28 110.83 179.783 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -69.07 -32.33 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 2.1299999999999999 111.034 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.9 OUTLIER -71.73 -45.9 60.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 3.5 111.006 -179.845 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -53.86 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.4399999999999999 111.307 -179.601 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -51.07 -46.33 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 3.0099999999999998 110.398 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.8 OUTLIER -60.08 -36.67 77.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 1.96 109.91 179.094 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.98 -43.98 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 116.245 -0.434 . . . . 1.3400000000000001 109.994 179.18 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -51.81 -28.9 17.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.902 -0.59 . . . . 2.5899999999999999 109.843 179.032 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -31.82 58.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.654 -0.703 . . . . 2.6800000000000002 110.459 179.204 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' CE1' ' CG2' ' B' ' 6' ' ' ILE . 18.3 p-80 -138.04 60.65 24.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.286 -0.415 . . . . 3.0699999999999998 110.995 179.666 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.91 -35.61 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.618 2.212 . . . . 2.23 112.465 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 6.25 110.972 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.807 0.337 . . . . 5.7999999999999998 110.914 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.12 87.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.719 . . . . 3.3500000000000001 112.477 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -133.34 57.44 0.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 1.99 112.445 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 63.05 16.56 9.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 2.5899999999999999 111.386 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.17 -28.49 40.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 2.2200000000000002 110.167 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.468 ' CG2' ' CE1' ' A' ' 31' ' ' HIS . 3.0 mt -79.48 -45.25 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.512 -0.767 . . . . 2.1200000000000001 110.409 179.382 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.5 -32.56 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.622 -0.717 . . . . 1.9399999999999999 110.707 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -77.4 -39.69 46.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 2.79 110.265 179.477 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.71 -0.677 . . . . 2.79 110.728 179.749 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 20.2 pt -71.42 -43.92 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.7 111.259 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -49.49 -34.93 18.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.432 0.634 . . . . 1.51 109.765 179.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.25 77.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.343 -0.844 . . . . 1.4399999999999999 109.252 178.708 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' B' ' 17' ' ' ILE . 24.3 mt -60.99 -47.11 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.468 -0.787 . . . . 1.22 110.185 178.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -48.0 -31.91 5.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.299 -0.409 . . . . 1.3200000000000001 111.006 179.645 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -76.48 -29.62 56.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 1.4199999999999999 110.375 179.579 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' ILE . 17.6 mt-10 -83.99 -33.74 24.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 2.0299999999999998 111.024 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.0 mt -64.47 -35.5 74.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 1.6000000000000001 110.646 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.59 -35.64 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.724 -0.671 . . . . 1.2 111.206 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.52 -46.11 73.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.264 -0.425 . . . . 1.5800000000000001 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.409 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 8.7 mt -65.68 -50.98 62.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 1.26 110.834 179.872 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.64 -30.6 9.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 2.3599999999999999 111.06 -179.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.62 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.1899999999999999 110.919 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 26' ' ' ARG . 2.1 mptp? -64.64 -35.67 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.98 110.895 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.618 ' CD ' ' HB ' ' A' ' 10' ' ' ILE . 2.0 tpt85 -64.03 -49.31 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.989 -0.55 . . . . 2.79 111.191 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -56.17 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.417 -0.356 . . . . 1.3400000000000001 111.359 -179.669 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.4 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 4.7 ptm85 -48.21 -41.25 26.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.076 0.465 . . . . 3.3999999999999999 110.549 -179.813 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.511 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mm? -64.34 -39.3 93.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 2.0299999999999998 109.914 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.7 t -62.46 -42.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 1.3700000000000001 110.301 179.244 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.24 -34.26 56.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 2.54 109.912 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.5 -31.48 70.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.703 -0.681 . . . . 2.7599999999999998 110.117 179.189 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.492 ' CE1' HG22 ' A' ' 6' ' ' ILE . 31.7 p-80 -139.58 75.86 31.27 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.288 -0.414 . . . . 3.8700000000000001 111.004 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.31 -25.39 30.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.529 2.152 . . . . 2.5699999999999998 112.353 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.297 -0.858 . . . . 6.4699999999999998 110.913 179.974 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.784 0.326 . . . . 5.2000000000000002 111.261 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.1 -27.82 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 3.3799999999999999 112.558 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.43 -125.96 7.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 2.2799999999999998 112.491 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.62 13.17 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 2.71 111.393 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -52.81 -28.31 22.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.175 0.512 . . . . 2.6600000000000001 110.001 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG21 ' CE1' ' B' ' 31' ' ' HIS . 26.0 mt -79.19 -44.55 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.468 -0.787 . . . . 2.3300000000000001 110.307 179.259 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.35 -30.73 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.573 -0.74 . . . . 2.1499999999999999 110.813 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -40.59 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 2.7799999999999998 110.373 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.71 -37.24 85.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 2.8799999999999999 110.791 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.7 pt -70.95 -43.66 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 1.5600000000000001 111.199 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 10' ' ' ILE . 18.5 t70 -50.33 -34.38 23.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.352 0.596 . . . . 1.48 109.908 179.639 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.87 -46.36 75.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.336 -0.847 . . . . 1.4099999999999999 109.29 178.831 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 38.0 mt -60.93 -47.0 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.401 -0.818 . . . . 1.1599999999999999 110.231 178.89 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -48.74 -31.82 7.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.914 179.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -28.71 57.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 1.3500000000000001 110.319 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.4 mt-10 -84.93 -34.45 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.969 -0.559 . . . . 2.0699999999999998 111.046 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.6 mt -64.81 -33.13 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.521 . . . . 1.54 110.716 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -37.04 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.776 -0.647 . . . . 1.24 111.216 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.75 -44.76 70.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.401 . . . . 1.79 110.864 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 7.2 mt -68.31 -50.31 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.23 110.776 179.812 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.54 -30.58 31.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 2.1499999999999999 111.035 -179.822 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.47 -33.06 62.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 1.28 110.818 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -68.57 -31.17 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 2.1299999999999999 111.0 179.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -73.98 -46.88 41.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 3.5 111.072 -179.878 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -54.13 48.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 1.4399999999999999 111.309 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.84 -45.17 59.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.232 -0.44 . . . . 3.0099999999999998 110.407 -179.911 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.9 mp -61.13 -37.13 81.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 1.96 109.932 179.059 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.34 -44.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.168 -0.469 . . . . 1.3400000000000001 110.225 179.386 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -51.8 -31.07 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 2.5899999999999999 109.994 179.158 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -75.43 -29.82 59.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.641 -0.709 . . . . 2.6800000000000002 110.566 179.262 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' CE1' HG22 ' B' ' 6' ' ' ILE . 45.8 p-80 -141.82 62.81 15.24 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.359 -0.382 . . . . 3.0699999999999998 110.946 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.24 -28.57 8.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.607 2.205 . . . . 2.23 112.283 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 6.25 110.901 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.886 0.374 . . . . 5.7999999999999998 110.975 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.62 -64.77 0.83 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 3.3500000000000001 112.553 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -40.99 96.21 0.01 OUTLIER Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.135 -0.555 . . . . 1.99 112.676 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -160.31 -80.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.109 0.481 . . . . 2.5899999999999999 110.777 -179.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -144.81 -43.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.477 -0.783 . . . . 2.2200000000000002 109.216 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.463 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.1 mt -64.44 -49.4 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.501 -0.772 . . . . 2.1200000000000001 109.693 178.659 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -30.6 45.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.126 -0.943 . . . . 1.9399999999999999 111.133 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -77.0 -38.14 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.939 0.4 . . . . 2.79 110.493 179.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -60.07 -40.14 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 2.79 110.836 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.3 pt -69.63 -43.04 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.7 111.288 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.07 -34.76 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.367 0.603 . . . . 1.51 109.951 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.828 . . . . 1.4399999999999999 109.377 178.731 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.487 ' O ' HG13 ' B' ' 17' ' ' ILE . 22.4 mt -60.42 -46.85 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.377 -0.829 . . . . 1.22 110.224 178.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -48.09 -32.95 7.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.354 -0.385 . . . . 1.3200000000000001 111.035 179.583 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -29.16 59.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 1.4199999999999999 110.304 179.621 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.59 -34.39 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.0299999999999998 111.062 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.487 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.6 mt -64.01 -34.18 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.122 0.487 . . . . 1.6000000000000001 110.782 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.11 -36.75 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.679 . . . . 1.2 111.244 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -54.48 -46.17 73.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 1.5800000000000001 110.857 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 8.4 mt -66.33 -50.94 61.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 1.26 110.909 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.24 -32.83 25.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 2.3599999999999999 111.228 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.97 72.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.1899999999999999 111.0 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -34.4 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.98 111.122 -179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.476 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -68.77 -46.0 69.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 2.79 111.179 -179.822 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -54.65 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.3400000000000001 111.267 -179.61 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 5.0 ptm180 -50.45 -42.22 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.095 0.474 . . . . 3.3999999999999999 110.538 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 10.4 mt -64.98 -36.7 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 2.0299999999999998 110.045 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -64.95 -42.28 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 1.3700000000000001 110.105 179.077 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -33.26 44.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.83 -0.623 . . . . 2.54 109.739 179.07 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -32.82 69.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.665 -0.698 . . . . 2.7599999999999998 110.305 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.476 ' CE1' HG21 ' A' ' 6' ' ' ILE . 20.7 p-80 -137.19 70.86 55.17 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.399 . . . . 3.8700000000000001 111.003 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.09 -28.07 13.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.581 2.187 . . . . 2.5699999999999998 112.345 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.224 -0.893 . . . . 6.4699999999999998 110.897 -179.983 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.773 0.321 . . . . 5.2000000000000002 111.261 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.97 -86.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 3.3799999999999999 112.523 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.76 94.74 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.797 -0.716 . . . . 2.2799999999999998 112.276 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -161.21 -80.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.106 0.479 . . . . 2.71 110.895 -179.13 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.09 -43.91 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.474 -0.785 . . . . 2.6600000000000001 109.242 179.669 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.479 HG21 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.56 -51.25 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 115.485 -0.78 . . . . 2.3300000000000001 109.538 178.566 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.96 -31.69 68.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.158 -0.928 . . . . 2.1499999999999999 110.892 179.668 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -78.36 -34.79 48.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 2.7799999999999998 110.516 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -60.48 -38.96 85.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 2.8799999999999999 110.78 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 19.0 pt -70.77 -43.16 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.5600000000000001 111.322 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.0 t70 -49.8 -34.03 18.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.371 0.605 . . . . 1.48 110.065 179.771 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.46 -47.2 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.384 -0.825 . . . . 1.4099999999999999 109.414 178.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.463 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 18.8 mt -60.3 -48.68 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.548 -0.751 . . . . 1.1599999999999999 110.466 179.12 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -48.54 -33.03 8.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.135 179.728 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -28.02 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.3500000000000001 110.386 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -85.76 -37.96 18.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 2.0699999999999998 111.021 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.0 mt -61.12 -32.48 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.49 . . . . 1.54 110.781 -179.959 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.62 -40.14 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 1.24 111.12 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -54.94 -44.45 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.79 110.924 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.3 mt -66.07 -52.67 46.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.23 111.092 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -38.55 28.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 2.1499999999999999 111.351 -179.688 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.83 87.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.455 . . . . 1.28 110.92 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -58.61 -34.47 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 2.1299999999999999 111.056 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -43.2 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 3.5 111.085 -179.795 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -56.38 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.4399999999999999 111.282 -179.758 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -41.44 39.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.105 0.479 . . . . 3.0099999999999998 110.58 -179.788 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 2.5 mp -64.58 -37.49 87.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.96 109.981 179.078 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.63 -45.1 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.18 -0.463 . . . . 1.3400000000000001 110.12 179.29 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -52.41 -33.06 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 2.5899999999999999 109.611 179.004 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.45 -30.43 68.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.546 -0.752 . . . . 2.6800000000000002 110.293 179.068 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.1 p-80 -144.45 72.06 15.83 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-N 116.271 -0.422 . . . . 3.0699999999999998 110.988 179.535 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.12 -27.67 35.33 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.593 2.196 . . . . 2.23 112.27 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 6.25 110.865 179.919 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 5.7999999999999998 110.913 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.54 -157.1 27.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 3.3500000000000001 112.581 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.79 28.33 59.23 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.694 -0.765 . . . . 1.99 112.494 -179.971 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 62.25 17.41 9.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 2.5899999999999999 111.336 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -55.54 -25.9 40.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.122 0.487 . . . . 2.2200000000000002 110.219 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.49 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mt -80.3 -45.65 22.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 2.1200000000000001 110.517 179.526 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -29.17 65.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.667 -0.697 . . . . 1.9399999999999999 111.015 179.789 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -77.56 -41.11 40.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 2.79 110.267 179.558 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.65 -35.71 76.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 2.79 110.832 179.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -73.46 -43.66 55.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.333 . . . . 1.7 111.359 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.99 -35.17 10.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.342 0.591 . . . . 1.51 109.884 179.64 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -68.15 -49.1 63.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.342 -0.845 . . . . 1.4399999999999999 109.69 178.941 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' B' ' 17' ' ' ILE . 37.3 mt -59.4 -48.94 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 1.22 110.594 179.215 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -47.9 -33.93 8.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.328 -0.396 . . . . 1.3200000000000001 111.131 179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -28.27 61.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 1.4199999999999999 110.362 179.723 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 13' ' ' ILE . 3.0 mm-40 -85.95 -35.18 20.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.873 -0.603 . . . . 2.0299999999999998 110.994 -179.71 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.4 mt -63.66 -31.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 1.6000000000000001 110.856 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.82 -44.73 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 1.2 111.351 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.38 -39.09 56.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 1.5800000000000001 110.944 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mt -69.62 -55.05 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 1.26 111.091 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -32.18 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 2.3599999999999999 111.268 -179.676 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.52 -33.46 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.403 . . . . 1.1899999999999999 111.103 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -69.34 -31.03 69.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 1.98 111.141 -179.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.463 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.99 -46.86 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 2.79 111.216 -179.855 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.3400000000000001 111.185 -179.712 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -50.74 -43.56 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 3.3999999999999999 110.536 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mt -64.87 -35.61 81.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 2.0299999999999998 110.23 179.35 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 t -65.68 -44.61 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 1.3700000000000001 110.345 179.452 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -33.88 40.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.531 . . . . 2.54 109.891 179.15 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.45 -31.75 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.667 -0.697 . . . . 2.7599999999999998 110.324 179.183 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.479 ' CE1' HG21 ' A' ' 6' ' ' ILE . 54.3 p-80 -143.55 74.03 17.09 Favored Pre-proline 0 C--N 1.333 -0.127 0 CA-C-N 116.24 -0.436 . . . . 3.8700000000000001 111.007 179.542 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.05 -36.27 17.81 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.565 2.177 . . . . 2.5699999999999998 112.38 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.237 -0.887 . . . . 6.4699999999999998 110.897 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.754 0.311 . . . . 5.2000000000000002 111.231 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.44 -118.96 10.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.63 -0.795 . . . . 3.3799999999999999 112.451 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.92 17.34 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.831 -0.699 . . . . 2.2799999999999998 112.371 -179.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -126.87 -84.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.998 0.428 . . . . 2.71 110.979 -179.38 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.57 -43.66 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.857 -0.611 . . . . 2.6600000000000001 109.564 179.706 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.452 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -65.46 -51.11 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 2.3300000000000001 109.738 178.764 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.31 -34.53 47.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.179 -0.919 . . . . 2.1499999999999999 110.961 179.778 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -75.15 -34.08 61.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 2.7799999999999998 110.425 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -62.51 -41.11 98.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 2.8799999999999999 110.761 179.802 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.29 -42.93 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.5600000000000001 111.253 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.81 -34.2 18.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.433 0.635 . . . . 1.48 109.979 179.67 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.77 -44.58 73.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 1.4099999999999999 109.425 178.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 26.9 mt -61.15 -48.14 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.412 -0.813 . . . . 1.1599999999999999 110.298 178.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -48.87 -33.93 11.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.356 -0.384 . . . . 1.29 111.097 179.678 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -26.96 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 1.3500000000000001 110.467 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -86.94 -36.01 18.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 2.0699999999999998 111.021 -179.764 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.4 mt -62.1 -32.22 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 1.54 110.673 179.775 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.55 -39.87 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.639 -0.71 . . . . 1.24 111.073 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.45 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.798 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 ' CB ' HG12 ' B' ' 17' ' ' ILE . 2.5 mt -75.3 -56.45 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 1.23 110.804 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -43.86 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 2.1499999999999999 110.994 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.05 70.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 1.28 110.845 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 -35.45 64.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 2.1299999999999999 110.808 179.886 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' HB ' ' B' ' 10' ' ' ILE . 18.9 ttt180 -71.08 -41.17 71.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 3.5 111.176 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -56.09 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 1.4399999999999999 111.06 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.6 ptp180 -49.78 -37.84 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 3.0099999999999998 110.457 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.3 mp -67.2 -39.29 86.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.509 . . . . 1.96 109.75 178.891 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.49 -44.07 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.549 . . . . 1.3400000000000001 110.225 179.182 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -53.95 -30.17 45.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 2.5899999999999999 109.916 179.063 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -73.55 -30.38 63.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.773 -0.649 . . . . 2.6800000000000002 110.355 179.121 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' HG22 ' B' ' 6' ' ' ILE . 42.1 p-80 -137.39 66.74 52.23 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.928 0.394 . . . . 3.0699999999999998 110.952 179.529 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.2 -15.69 15.98 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.638 2.225 . . . . 2.23 112.531 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 6.25 110.958 179.953 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 5.7999999999999998 110.856 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.47 161.98 33.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 3.3500000000000001 112.49 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -119.88 -84.6 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 1.99 112.399 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -93.36 14.48 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 2.5899999999999999 111.36 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.37 -27.49 24.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.524 . . . . 2.2200000000000002 109.999 179.615 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.499 HG22 ' CE1' ' A' ' 31' ' ' HIS . 23.2 mt -81.82 -44.84 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.429 -0.805 . . . . 2.1200000000000001 110.279 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -30.79 65.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.574 -0.739 . . . . 1.9399999999999999 110.816 179.723 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -77.74 -39.22 45.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.126 0.488 . . . . 2.79 110.206 179.471 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -60.82 -40.24 92.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 2.79 110.718 179.647 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.407 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.9 pt -69.41 -42.59 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 1.7 111.217 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -48.84 -35.25 14.15 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.554 0.692 . . . . 1.51 109.8 179.581 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -67.93 -43.82 78.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.175 -0.921 . . . . 1.4399999999999999 109.266 178.634 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.485 ' O ' HG13 ' B' ' 17' ' ' ILE . 12.3 mt -61.43 -48.81 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.464 -0.789 . . . . 1.22 110.335 179.053 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -47.65 -34.41 8.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.437 -0.347 . . . . 1.3200000000000001 111.187 179.763 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -28.23 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 1.4199999999999999 110.438 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.6 mm-40 -85.71 -38.16 18.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 2.0299999999999998 111.046 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.485 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.7 mt -59.35 -33.26 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.625 179.896 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.03 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.698 -0.683 . . . . 1.2 111.278 -179.848 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.24 -41.87 69.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 1.5800000000000001 111.083 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 9.3 mt -67.69 -53.44 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.26 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -33.7 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 2.3599999999999999 111.312 -179.661 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.36 -29.75 62.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 1.1899999999999999 111.062 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -71.99 -33.01 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 1.98 111.118 -179.864 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.467 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -69.19 -44.68 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 2.79 111.255 -179.793 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 1.3400000000000001 111.312 -179.498 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.85 38.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 3.3999999999999999 110.579 -179.705 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.8 mt -65.98 -38.46 88.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.946 -0.57 . . . . 2.0299999999999998 110.099 179.109 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.7 t -62.09 -47.23 94.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 1.3700000000000001 110.429 179.417 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -32.49 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 2.54 109.836 179.169 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 2.7599999999999998 110.36 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.452 ' CE1' HG22 ' A' ' 6' ' ' ILE . 49.0 p-80 -142.67 71.99 20.11 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.259 -0.428 . . . . 3.8700000000000001 110.989 179.699 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.05 -28.21 16.26 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.148 . . . . 2.5699999999999998 112.281 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 6.4699999999999998 110.847 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.9 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.829 0.347 . . . . 5.2000000000000002 111.155 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.15 143.56 5.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 3.3799999999999999 112.517 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.55 -120.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.826 -0.702 . . . . 2.2799999999999998 112.562 179.939 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.28 12.71 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 2.71 111.328 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -28.31 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 2.6600000000000001 109.986 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.477 HG21 ' CE1' ' B' ' 31' ' ' HIS . 23.2 mt -79.8 -44.61 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.42 -0.809 . . . . 2.3300000000000001 110.344 179.184 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -57.55 -29.19 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.653 -0.703 . . . . 2.1499999999999999 110.801 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -81.6 -40.71 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 2.7799999999999998 110.145 179.465 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -62.06 -33.9 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.686 . . . . 2.8799999999999999 110.681 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.4 pt -72.02 -43.45 67.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 1.5600000000000001 111.206 179.834 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -50.74 -34.51 27.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.384 0.611 . . . . 1.48 109.696 179.67 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -47.06 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.326 -0.852 . . . . 1.4099999999999999 109.361 178.876 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' ILE . 25.4 mt -60.86 -46.46 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.587 -0.733 . . . . 1.1599999999999999 110.304 178.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -48.05 -33.11 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 1.29 111.034 179.662 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -29.02 58.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 1.3500000000000001 110.434 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.3 mt-10 -84.23 -33.34 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 2.0699999999999998 110.969 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.3 mt -64.77 -34.65 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 1.54 110.682 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.36 -36.34 46.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.656 -0.702 . . . . 1.24 111.39 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.36 -48.81 73.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.802 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.6 mt -62.71 -52.19 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.23 111.011 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.63 -30.34 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 2.1499999999999999 111.179 -179.785 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 1.28 110.975 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -67.04 -33.47 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.1299999999999999 111.175 -179.877 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.7 OUTLIER -71.63 -47.07 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 3.5 111.33 -179.742 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -53.12 61.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 1.4399999999999999 111.285 -179.619 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -51.02 -44.36 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 3.0099999999999998 110.667 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 6.8 mp -65.35 -35.28 80.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 1.96 110.32 179.412 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.59 -46.88 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.921 0.391 . . . . 1.3400000000000001 110.332 179.423 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -33.57 34.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 2.5899999999999999 109.704 179.161 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -31.83 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.598 -0.728 . . . . 2.6800000000000002 110.257 179.134 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' CE1' HG21 ' B' ' 6' ' ' ILE . 52.6 p-80 -143.18 75.43 17.11 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-N 116.209 -0.451 . . . . 3.0699999999999998 110.984 179.503 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -175.13 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.633 2.222 . . . . 2.23 112.272 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.25 0 CA-C-N 116.001 -0.545 . . . . 6.25 111.541 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 5.7999999999999998 110.817 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.25 21.41 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 3.3500000000000001 112.717 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -44.5 95.6 0.01 OUTLIER Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.961 -0.637 . . . . 1.99 112.54 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -156.71 -81.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.156 0.503 . . . . 2.5899999999999999 110.798 -179.138 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -139.35 -43.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.432 -0.804 . . . . 2.2200000000000002 109.185 179.436 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.487 HG21 ' CE1' ' A' ' 31' ' ' HIS . 1.9 mt -65.16 -50.66 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.445 -0.798 . . . . 2.1200000000000001 109.534 178.43 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.11 -32.46 71.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.126 -0.943 . . . . 1.9399999999999999 110.798 179.716 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.98 -33.95 44.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 2.79 110.367 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -61.06 -38.69 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 2.79 110.781 179.753 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.3 pt -70.58 -43.09 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 1.7 111.102 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.11 -34.67 14.45 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.345 0.593 . . . . 1.51 109.965 179.568 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.47 -47.46 70.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.433 -0.803 . . . . 1.4399999999999999 109.329 178.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 17' ' ' ILE . 19.7 mt -59.84 -47.86 89.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 1.22 110.307 178.932 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -48.6 -32.14 7.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.272 -0.422 . . . . 1.3200000000000001 110.974 179.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -28.71 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.4199999999999999 110.337 179.493 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.6 mt-10 -85.4 -35.45 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 2.0299999999999998 111.044 -179.825 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 13' ' ' ILE . 9.3 mt -63.71 -32.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 1.6000000000000001 110.838 179.895 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.81 28.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 1.2 111.156 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.64 -43.48 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 1.5800000000000001 110.877 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.421 ' CB ' HG12 ' A' ' 17' ' ' ILE . 11.1 mt -70.1 -51.54 30.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 1.26 110.933 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -53.13 -34.16 55.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 2.3599999999999999 111.109 -179.837 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.27 63.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 1.1899999999999999 111.096 179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -71.73 -33.78 69.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.98 111.062 -179.935 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -68.98 -46.17 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.403 . . . . 2.79 111.139 -179.859 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -55.26 31.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.3400000000000001 111.212 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -49.84 -44.01 49.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.102 0.477 . . . . 3.3999999999999999 110.468 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 4.3 mp -62.37 -37.75 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 2.0299999999999998 110.027 179.151 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.444 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 40.3 t -62.64 -47.42 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.232 -0.44 . . . . 1.3700000000000001 110.287 179.262 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -50.83 -29.69 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 2.54 109.71 179.151 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -34.4 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.564 -0.744 . . . . 2.7599999999999998 110.358 179.156 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.477 ' CE1' HG21 ' A' ' 6' ' ' ILE . 24.4 p-80 -133.68 69.27 76.19 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 3.8700000000000001 111.067 179.594 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.81 139.69 19.98 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.656 2.238 . . . . 2.5699999999999998 112.364 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 6.4699999999999998 111.542 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.839 0.352 . . . . 5.2000000000000002 111.163 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' CA ' ' HB2' ' A' ' 8' ' ' GLN . . . 99.91 119.27 4.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 3.3799999999999999 112.426 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.0 11.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.554 -0.831 . . . . 2.2799999999999998 112.057 179.48 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.54 14.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 2.71 111.064 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 72.03 22.01 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.513 0.673 . . . . 2.6600000000000001 109.67 -178.677 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.457 HG21 ' CE1' ' B' ' 31' ' ' HIS . 7.0 mt -139.98 -48.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.859 -1.064 . . . . 2.3300000000000001 108.992 -179.884 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.65 -26.94 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.82 -1.082 . . . . 2.1499999999999999 110.463 178.623 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.401 ' HB2' ' CA ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -77.88 -40.64 39.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 2.7799999999999998 110.095 179.264 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -39.52 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.806 -0.633 . . . . 2.8799999999999999 110.696 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.6 pt -69.62 -43.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 1.5600000000000001 111.159 179.877 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.4 -34.19 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.315 0.578 . . . . 1.48 109.944 179.659 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.42 -47.81 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.347 -0.842 . . . . 1.4099999999999999 109.339 178.87 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 ' HB ' ' HG3' ' B' ' 24' ' ' ARG . 22.6 mt -59.84 -47.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 1.1599999999999999 110.146 178.969 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -48.68 -32.38 8.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 1.29 110.98 179.634 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -75.37 -28.8 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 1.3500000000000001 110.314 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -84.99 -34.11 22.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 2.0699999999999998 111.032 -179.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.2 mt -64.83 -32.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 1.54 110.735 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.74 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.763 -0.653 . . . . 1.24 111.184 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.15 -45.72 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 1.79 110.765 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 6.0 mt -67.53 -50.27 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 1.23 110.783 179.754 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -33.37 33.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 2.1499999999999999 111.116 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.25 72.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 1.28 110.919 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -66.14 -33.82 76.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 2.1299999999999999 110.991 179.894 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -71.76 -44.73 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 3.5 111.116 -179.963 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -56.18 24.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 1.4399999999999999 111.016 -179.767 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -40.91 55.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.159 0.504 . . . . 3.0099999999999998 110.407 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 mt -64.74 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 1.96 109.907 178.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -63.85 -45.56 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.105 -0.498 . . . . 1.3400000000000001 110.046 179.136 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -51.52 -30.04 18.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.878 -0.601 . . . . 2.5899999999999999 109.764 179.106 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -33.37 65.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 2.6800000000000002 110.36 179.11 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' B' ' 6' ' ' ILE . 20.3 p-80 -139.05 65.84 37.54 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 3.0699999999999998 111.077 179.616 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.05 -30.89 5.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.676 2.25 . . . . 2.23 112.428 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 6.25 110.926 179.981 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 5.7999999999999998 110.846 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.68 52.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 3.3500000000000001 112.482 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.67 -155.21 50.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 1.99 112.501 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -94.0 15.0 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 2.5899999999999999 111.341 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -53.09 -28.79 26.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.234 0.54 . . . . 2.2200000000000002 110.056 179.651 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mp -80.66 -44.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 2.1200000000000001 110.342 179.302 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.98 -28.25 56.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.663 -0.699 . . . . 1.9399999999999999 110.8 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -41.64 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 2.79 110.374 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.44 -36.58 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.69 -0.686 . . . . 2.79 110.755 179.804 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.5 pt -71.62 -43.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 1.7 111.226 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -50.4 -34.42 24.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.336 0.588 . . . . 1.51 109.906 179.655 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -47.95 71.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.41 -0.814 . . . . 1.4399999999999999 109.481 178.816 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.483 ' O ' HG13 ' B' ' 17' ' ' ILE . 22.8 mt -60.43 -46.87 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 1.22 110.282 178.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -48.33 -32.45 7.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.292 -0.413 . . . . 1.3200000000000001 111.056 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -29.27 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.4199999999999999 110.373 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 20.4 mt-10 -84.41 -33.86 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 2.0299999999999998 111.027 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.483 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.5 mt -64.86 -34.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 1.6000000000000001 110.693 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.49 -37.63 42.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 1.2 111.366 -179.652 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -53.5 -44.5 69.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 1.5800000000000001 110.998 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.1 mt -67.85 -50.49 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 1.26 111.037 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -50.98 -36.33 38.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 2.3599999999999999 111.278 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.41 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.1899999999999999 110.947 179.856 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -67.53 -33.91 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 1.98 111.129 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.471 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -70.16 -46.35 64.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.79 111.194 -179.8 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.47 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 1.3400000000000001 111.224 -179.638 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -49.55 -43.11 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 3.3999999999999999 110.477 -179.85 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.2 mm? -64.69 -38.28 90.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 2.0299999999999998 110.169 179.258 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -62.13 -46.16 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.239 -0.437 . . . . 1.3700000000000001 110.395 179.465 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.93 -33.06 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 2.54 109.943 179.274 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.13 -30.3 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.696 -0.684 . . . . 2.7599999999999998 110.318 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.457 ' CE1' HG21 ' A' ' 6' ' ' ILE . 49.2 p-80 -138.95 73.05 39.83 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.923 0.392 . . . . 3.8700000000000001 110.975 179.579 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 171.45 15.93 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.533 2.156 . . . . 2.5699999999999998 112.32 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.887 . . . . 6.4699999999999998 111.433 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.791 0.329 . . . . 5.2000000000000002 111.203 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . 161.2 -57.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 3.3799999999999999 112.512 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.64 93.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.761 -0.733 . . . . 2.2799999999999998 112.31 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' GLY . 32.8 m-20 -158.54 -80.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 2.71 110.99 -179.17 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.69 -43.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.479 -0.782 . . . . 2.6600000000000001 109.401 179.642 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.455 HG23 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -66.34 -51.72 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.648 -0.706 . . . . 2.3300000000000001 109.707 178.795 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.02 -32.95 55.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.14 -0.936 . . . . 2.1499999999999999 110.957 179.745 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -79.87 -36.54 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 2.7799999999999998 110.339 179.602 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -61.7 -36.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.881 -0.6 . . . . 2.8799999999999999 110.782 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -70.97 -43.13 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 1.5600000000000001 111.076 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.27 -34.43 23.32 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.35 0.595 . . . . 1.48 109.789 179.54 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -46.24 76.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.313 -0.858 . . . . 1.4099999999999999 109.271 178.694 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 17' ' ' ILE . 26.4 mt -61.0 -46.31 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.485 -0.78 . . . . 1.1599999999999999 110.129 178.888 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.38 -32.7 7.92 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.985 179.539 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.54 59.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 1.3500000000000001 110.399 179.523 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' ILE . 18.9 mt-10 -83.93 -33.83 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 2.0699999999999998 110.883 -179.772 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.3 mt -64.54 -34.17 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 1.54 110.737 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.34 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.775 -0.648 . . . . 1.24 111.284 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.78 -44.51 73.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 1.79 110.923 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CB ' HG12 ' B' ' 17' ' ' ILE . 9.0 mt -67.88 -52.28 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 1.23 111.068 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.79 -30.87 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 2.1499999999999999 111.095 -179.854 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.44 -31.63 60.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 1.28 110.909 179.875 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -36.32 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 2.1299999999999999 111.08 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.27 -43.68 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 3.5 111.02 -179.841 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -55.17 24.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.4399999999999999 111.256 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -48.47 -41.99 31.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.991 0.424 . . . . 3.0099999999999998 110.537 -179.859 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 3.3 mm? -64.64 -38.78 92.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 1.96 110.015 179.195 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.7 t -62.46 -46.89 95.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-N 116.148 -0.478 . . . . 1.3400000000000001 110.383 179.402 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -52.2 -30.68 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 2.5899999999999999 109.999 179.15 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.13 -30.37 64.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.642 -0.708 . . . . 2.6800000000000002 110.368 179.172 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' CE1' HG23 ' B' ' 6' ' ' ILE . 52.4 p-80 -138.52 70.24 45.59 Favored Pre-proline 0 C--O 1.231 0.114 0 CA-C-N 116.3 -0.409 . . . . 3.0699999999999998 111.054 179.568 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.85 -168.08 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.564 2.176 . . . . 2.23 112.366 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 6.25 110.886 179.954 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.761 0.315 . . . . 5.7999999999999998 110.926 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . 0.404 ' CA ' ' HB2' ' B' ' 8' ' ' GLN . . . 70.07 25.19 75.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 3.3500000000000001 112.54 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.27 -22.73 30.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.558 -0.83 . . . . 1.99 112.06 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.9 14.0 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 2.5899999999999999 111.18 179.757 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.65 20.01 5.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.463 0.649 . . . . 2.2200000000000002 109.764 -178.764 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.464 HG23 ' CE1' ' A' ' 31' ' ' HIS . 8.8 mt -136.28 -47.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.927 -1.033 . . . . 2.1200000000000001 108.98 179.761 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.05 -25.62 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.682 -1.145 . . . . 1.9399999999999999 110.48 178.552 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.404 ' HB2' ' CA ' ' B' ' 2' ' ' GLY . 7.3 tm0? -78.24 -42.98 29.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.927 -0.579 . . . . 2.79 109.954 179.318 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -58.36 -39.3 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 2.79 110.816 179.765 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.06 -42.88 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.985 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.99 -34.34 9.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.35 0.595 . . . . 1.51 109.888 179.529 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.04 -48.45 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.382 -0.826 . . . . 1.4399999999999999 109.497 178.846 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' B' ' 17' ' ' ILE . 36.3 mt -59.61 -47.58 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 1.22 110.332 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -49.08 -32.87 10.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 1.3200000000000001 111.021 179.574 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.82 -27.77 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 1.4199999999999999 110.291 179.532 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mm-40 -85.61 -36.03 20.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.837 -0.619 . . . . 2.0299999999999998 110.853 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.8 mt -62.23 -33.07 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.6000000000000001 110.652 179.86 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.15 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.2 111.118 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -54.34 -43.41 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.931 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.416 ' CB ' HG12 ' A' ' 17' ' ' ILE . 8.8 mt -70.17 -50.9 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.26 110.942 179.885 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -50.56 -38.47 45.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 2.3599999999999999 111.061 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.41 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.1899999999999999 110.845 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -33.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 1.98 110.958 179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.465 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.11 -41.82 66.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 2.79 111.254 -179.82 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -56.76 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.3400000000000001 111.518 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.92 35.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.033 0.444 . . . . 3.3999999999999999 110.356 -179.733 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.425 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 0.2 OUTLIER -62.93 -39.37 94.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.899 -0.591 . . . . 2.0299999999999998 109.782 178.88 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.28 -44.96 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.089 -0.505 . . . . 1.3700000000000001 110.171 179.215 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -51.51 -29.05 15.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.826 -0.625 . . . . 2.54 110.012 179.186 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.35 -30.55 53.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.681 -0.691 . . . . 2.7599999999999998 110.594 179.324 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.455 ' CE1' HG23 ' A' ' 6' ' ' ILE . 46.1 p-80 -138.33 60.01 19.92 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.311 -0.404 . . . . 3.8700000000000001 111.084 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.22 -84.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.488 2.125 . . . . 2.5699999999999998 112.334 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 6.4699999999999998 111.167 179.962 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.801 0.334 . . . . 5.2000000000000002 111.115 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.55 139.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 3.3799999999999999 112.524 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.21 -68.41 1.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 2.2799999999999998 112.488 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.88 14.3 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.677 0.275 . . . . 2.71 111.377 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -52.73 -29.94 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 2.6600000000000001 110.081 179.553 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.487 HG23 ' CE1' ' B' ' 31' ' ' HIS . 2.6 mt -78.49 -44.49 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.451 -0.795 . . . . 2.3300000000000001 110.201 179.236 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -56.17 -27.11 53.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 2.1499999999999999 110.745 179.408 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -77.45 -42.51 35.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.203 0.525 . . . . 2.7799999999999998 110.136 179.452 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -40.39 91.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 2.8799999999999999 110.634 179.691 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.8 pt -68.07 -41.37 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 1.5600000000000001 111.08 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -49.32 -35.37 18.11 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.505 0.669 . . . . 1.48 109.553 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 15.2 t70 -68.79 -39.71 80.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 1.4099999999999999 109.017 178.446 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.564 ' HB ' ' CG ' ' B' ' 24' ' ' ARG . 28.0 mt -62.16 -50.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.1599999999999999 110.277 178.846 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -49.12 -32.2 9.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 1.29 111.074 179.739 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -27.73 60.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.5 . . . . 1.3500000000000001 110.353 179.497 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 3.8 mm-40 -85.71 -36.48 20.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.703 -0.68 . . . . 2.0699999999999998 110.951 -179.814 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' B' ' 24' ' ' ARG . 11.1 mt -61.62 -33.81 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 1.54 110.602 179.76 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.48 -37.16 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 1.24 111.279 -179.833 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -44.3 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.79 110.938 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' CB ' HG12 ' B' ' 17' ' ' ILE . 8.8 mt -69.09 -50.33 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 1.23 110.982 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 2.1499999999999999 111.167 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.14 71.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 1.28 110.782 179.766 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 2.1299999999999999 110.951 179.946 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.63 -46.95 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 3.5 111.21 -179.713 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.38 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.4399999999999999 111.108 -179.727 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.35 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 3.0099999999999998 110.357 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 11.2 mt -60.42 -35.67 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 1.96 109.973 179.069 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 39.3 t -65.8 -43.84 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 1.3400000000000001 110.112 179.154 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -29.13 16.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.901 -0.59 . . . . 2.5899999999999999 109.997 179.168 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.8 -32.65 57.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.643 -0.708 . . . . 2.6800000000000002 110.503 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' CE1' HG23 ' B' ' 6' ' ' ILE . 20.2 p-80 -135.1 60.68 41.59 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-O 120.879 0.371 . . . . 3.0699999999999998 111.138 179.695 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.59 -28.3 10.07 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.547 2.165 . . . . 2.23 112.335 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 6.25 110.871 -179.989 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.805 0.336 . . . . 5.7999999999999998 110.893 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.15 -110.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 3.3500000000000001 112.484 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.84 -146.77 50.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 1.99 112.481 179.952 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.73 13.47 20.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.281 . . . . 2.5899999999999999 111.346 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.32 -30.74 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.202 0.525 . . . . 2.2200000000000002 110.05 179.61 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.464 HG23 ' CE1' ' A' ' 31' ' ' HIS . 1.9 mp -75.82 -44.42 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.452 -0.795 . . . . 2.1200000000000001 110.151 179.171 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.95 -31.99 60.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 1.9399999999999999 110.662 179.574 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -40.18 55.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.945 -0.57 . . . . 2.79 110.236 179.396 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 2.79 110.744 179.788 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 pt -71.52 -43.57 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.7 111.155 179.909 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.54 -35.07 19.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.397 0.617 . . . . 1.51 109.815 179.504 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.56 -46.29 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.275 -0.875 . . . . 1.4399999999999999 109.282 178.752 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' B' ' 17' ' ' ILE . 32.9 mt -60.77 -44.51 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 1.22 110.109 178.809 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.61 -33.99 10.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.354 -0.385 . . . . 1.3200000000000001 110.813 179.363 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.02 -28.44 60.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 1.4199999999999999 110.437 179.607 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.01 -33.68 22.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 2.0299999999999998 111.052 -179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.6 mt -64.02 -34.24 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 1.6000000000000001 110.615 179.808 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.5 39.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 1.2 111.063 179.913 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -54.26 -41.71 69.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.5800000000000001 111.076 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.8 mt -71.2 -53.9 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.26 111.009 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.84 -34.3 40.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 2.3599999999999999 111.234 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.66 -27.32 58.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 1.1899999999999999 111.249 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -80.65 -32.75 36.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 1.98 111.115 -179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.564 ' CG ' ' HB ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -70.65 -34.55 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 2.79 111.145 -179.734 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -56.03 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 1.3400000000000001 111.119 -179.853 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.17 -34.99 10.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.922 0.392 . . . . 3.3999999999999999 110.468 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.3 mp -68.99 -40.74 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 2.0299999999999998 109.649 178.753 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.435 ' HA ' ' CE1' ' B' ' 31' ' ' HIS . 38.4 t -61.21 -46.94 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 1.3700000000000001 110.182 179.076 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -31.06 35.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 2.54 109.73 178.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.39 -30.52 67.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.618 -0.719 . . . . 2.7599999999999998 110.324 179.143 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.487 ' CE1' HG23 ' A' ' 6' ' ' ILE . 42.2 p-80 -136.15 71.47 61.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-O 120.846 0.355 . . . . 3.8700000000000001 111.026 179.538 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.92 -29.25 4.43 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.629 2.219 . . . . 2.5699999999999998 112.373 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.279 -0.867 . . . . 6.4699999999999998 110.904 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.793 0.33 . . . . 5.2000000000000002 111.18 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.77 -56.39 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.674 -0.774 . . . . 3.3799999999999999 112.5 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.75 -148.29 47.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 2.2799999999999998 112.474 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -91.74 12.57 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 2.71 111.38 -179.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.13 -33.27 25.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.195 0.521 . . . . 2.6600000000000001 109.764 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.526 ' HB ' ' CE1' ' B' ' 31' ' ' HIS . 37.8 mt -68.1 -46.57 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.326 -0.852 . . . . 2.3300000000000001 109.897 178.838 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.73 -40.13 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.667 -0.697 . . . . 2.1499999999999999 110.386 179.636 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -37.95 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.595 -0.729 . . . . 2.7799999999999998 110.306 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -62.8 -30.57 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.711 -0.677 . . . . 2.8799999999999999 110.942 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 6' ' ' ILE . 22.4 pt -76.75 -46.19 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.866 -0.333 . . . . 1.5600000000000001 111.41 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.3 t0 -49.23 -34.13 14.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.519 0.676 . . . . 1.48 109.961 179.622 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.08 -49.53 50.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.209 -0.905 . . . . 1.4099999999999999 110.106 179.081 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' ILE . 21.0 mt -59.15 -48.83 85.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.619 . . . . 1.1599999999999999 110.569 179.329 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -47.87 -35.36 10.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 1.29 111.179 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.75 -27.61 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.3500000000000001 110.516 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.2 mm-40 -86.39 -34.97 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 2.0699999999999998 111.03 -179.801 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.1 mt -62.87 -31.49 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 1.54 110.538 179.769 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.89 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.641 -0.708 . . . . 1.24 111.103 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -41.49 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 1.79 111.016 -179.872 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.8 mt -71.26 -51.72 22.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.23 111.07 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.97 -35.9 26.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 2.1499999999999999 111.155 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 1.28 110.884 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -66.56 -34.83 78.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 2.1299999999999999 110.952 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.16 -41.01 70.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 3.5 110.985 -179.886 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 1.4399999999999999 111.341 -179.572 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.17 26.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.047 0.451 . . . . 3.0099999999999998 110.64 -179.665 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.5 mp -66.19 -38.93 89.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.49 -0.559 . . . . 1.96 109.49 178.868 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 t -63.41 -43.64 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.914 -0.585 . . . . 1.3400000000000001 109.988 178.874 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -52.9 -29.03 26.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.769 -0.651 . . . . 2.5899999999999999 109.714 178.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -75.36 -31.41 60.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.634 -0.712 . . . . 2.6800000000000002 110.471 179.215 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' B' ' 6' ' ' ILE . 24.1 p-80 -137.93 60.68 24.79 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.381 -0.372 . . . . 3.0699999999999998 111.047 179.666 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.74 -42.65 0.11 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.706 2.271 . . . . 2.23 112.444 -179.936 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.012 -0.54 . . . . 6.25 110.945 179.926 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 5.7999999999999998 110.897 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.15 -111.4 3.35 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 3.3500000000000001 112.402 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.97 -124.69 7.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 1.99 112.494 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.08 14.94 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.681 0.277 . . . . 2.5899999999999999 111.335 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -29.25 27.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.195 0.521 . . . . 2.2200000000000002 110.039 179.634 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.484 HG21 ' CE1' ' A' ' 31' ' ' HIS . 1.9 mt -80.71 -44.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 2.1200000000000001 110.201 179.22 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.94 -27.89 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.621 -0.718 . . . . 1.9399999999999999 110.67 179.566 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.74 -42.85 23.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 2.79 110.121 179.468 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.46 -36.56 78.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 2.79 110.67 179.64 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -70.38 -43.13 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 1.7 111.041 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.97 -34.42 12.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.344 0.593 . . . . 1.51 109.724 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.42 -47.04 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.267 -0.878 . . . . 1.4399999999999999 109.539 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.472 ' O ' HG13 ' B' ' 17' ' ' ILE . 37.5 mt -61.0 -47.37 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 1.22 110.279 179.036 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -48.77 -32.29 8.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 1.3200000000000001 110.975 179.579 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -75.93 -28.66 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 1.4199999999999999 110.391 179.589 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.37 -34.22 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 2.0299999999999998 110.784 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.9 mt -64.48 -33.63 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 1.6000000000000001 110.704 179.913 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.97 -36.93 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 1.2 111.258 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -54.33 -46.1 72.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 1.5800000000000001 110.854 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.4 mt -66.28 -49.39 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 1.26 110.801 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -50.56 -42.03 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 2.3599999999999999 111.1 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 1.1899999999999999 111.073 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -59.56 -43.41 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 1.98 111.001 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.411 ' O ' ' CG2' ' B' ' 28' ' ' VAL . 0.0 OUTLIER -67.99 -40.76 83.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 2.79 110.892 -179.947 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -61.38 -54.37 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.3400000000000001 111.24 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' CD1' ' B' ' 27' ' ' LEU . 3.6 ptm85 -49.94 -37.58 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 3.3999999999999999 110.772 -179.761 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' B' ' 26' ' ' ARG . 9.1 mp -78.72 -31.92 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 2.0299999999999998 110.495 179.239 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' B' ' 24' ' ' ARG . 81.6 t -68.82 -56.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.917 0.389 . . . . 1.3700000000000001 110.225 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -52.6 -35.74 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 2.54 109.745 179.207 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -72.62 -26.46 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.477 -0.783 . . . . 2.7599999999999998 110.041 178.739 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.526 ' CE1' ' HB ' ' A' ' 6' ' ' ILE . 1.2 m80 -107.85 62.85 0.23 Allowed Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.754 -0.657 . . . . 3.8700000000000001 111.502 179.869 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.07 -31.49 45.74 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.38 2.053 . . . . 2.5699999999999998 112.254 179.899 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.221 -0.895 . . . . 6.4699999999999998 110.889 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.853 0.358 . . . . 5.2000000000000002 111.199 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 3.3799999999999999 112.487 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.37 -119.59 3.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 2.2799999999999998 112.558 -179.952 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -108.97 15.33 23.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.651 0.262 . . . . 2.71 111.303 -179.979 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -53.21 -28.79 28.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.521 . . . . 2.6600000000000001 110.046 179.623 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' B' ' 31' ' ' HIS . 22.5 mt -81.17 -45.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.424 -0.807 . . . . 2.3300000000000001 110.156 179.194 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.04 -23.75 35.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.643 -0.708 . . . . 2.1499999999999999 110.783 179.558 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -41.15 37.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 2.7799999999999998 110.301 179.606 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -39.31 89.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.786 -0.643 . . . . 2.8799999999999999 110.753 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.8 pt -68.67 -42.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.5600000000000001 111.101 179.794 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.9 -34.47 20.4 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.374 0.607 . . . . 1.48 109.956 179.588 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -66.87 -46.64 74.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 1.4099999999999999 109.328 178.828 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 17' ' ' ILE . 22.9 mt -60.82 -46.01 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 1.1599999999999999 110.143 178.842 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -48.94 -32.3 8.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.188 -0.46 . . . . 1.29 110.906 179.496 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -28.73 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.3500000000000001 110.276 179.549 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -84.5 -33.76 23.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 2.0699999999999998 110.947 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 13' ' ' ILE . 10.2 mt -65.18 -33.77 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 1.54 110.77 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -36.45 40.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 1.24 111.123 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -46.11 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 1.79 110.783 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 10.3 mt -65.94 -49.99 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 1.23 110.713 179.674 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.64 -42.25 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 2.1499999999999999 111.025 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.22 82.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 1.28 111.134 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 mtpp -60.98 -40.43 93.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.1299999999999999 110.904 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -41.28 74.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 3.5 110.796 179.878 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -61.27 -53.26 59.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 1.4399999999999999 111.237 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 2.7 ptm85 -50.01 -40.35 44.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 3.0099999999999998 110.669 -179.807 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 8.6 mp -73.32 -32.55 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 1.96 110.453 179.24 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.4 t -68.85 -52.49 34.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.864 0.364 . . . . 1.3400000000000001 110.24 179.363 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.48 -30.67 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 2.5899999999999999 109.726 179.157 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' O ' ' HD2' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -73.21 -24.61 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.485 -0.779 . . . . 2.6800000000000002 110.109 178.837 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.611 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . 0.3 OUTLIER -106.56 60.01 0.18 Allowed Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.906 -0.588 . . . . 3.0699999999999998 111.822 -179.865 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' ' 30' ' ' GLN . 55.7 Cg_endo -69.31 -35.69 13.48 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.193 1.928 . . . . 2.23 112.334 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 6.25 110.897 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 5.7999999999999998 110.894 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.61 -70.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 3.3500000000000001 112.498 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.67 45.17 4.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 1.99 112.561 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 65.22 13.21 8.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.568 0.223 . . . . 2.5899999999999999 111.567 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -49.3 -34.72 16.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 2.2200000000000002 110.162 179.688 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.611 ' HB ' ' CE1' ' A' ' 31' ' ' HIS . 39.6 mt -69.1 -48.8 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.519 -0.764 . . . . 2.1200000000000001 110.427 179.215 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -52.98 -38.06 61.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.9399999999999999 110.833 -179.93 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.89 -39.98 25.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 2.79 110.485 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.05 71.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 2.79 110.86 179.937 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' CB ' ' A' ' 27' ' ' LEU . 19.3 pt -75.16 -45.54 41.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.892 -0.323 . . . . 1.7 111.406 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.32 -34.51 10.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.504 0.668 . . . . 1.51 110.164 179.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.43 -52.25 34.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.285 -0.87 . . . . 1.4399999999999999 110.077 179.172 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.505 ' O ' HG13 ' B' ' 17' ' ' ILE . 52.2 mt -58.2 -47.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.832 -0.622 . . . . 1.22 110.497 179.397 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 17' ' ' ILE . 2.8 t0 -47.11 -35.3 6.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 1.3200000000000001 111.164 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -29.27 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 1.4199999999999999 110.394 179.673 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' B' ' 13' ' ' ILE . 12.7 mt-10 -85.78 -34.57 21.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.623 . . . . 2.0299999999999998 111.205 -179.649 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 13' ' ' ILE . 10.2 mt -63.26 -31.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.074 0.464 . . . . 1.6000000000000001 110.571 179.905 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.32 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.725 -0.671 . . . . 1.2 111.342 -179.745 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.15 -43.8 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.36 . . . . 1.5800000000000001 110.945 -179.874 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.7 mt -68.53 -52.68 29.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 1.26 111.024 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -50.39 -32.08 16.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.431 . . . . 2.3599999999999999 111.207 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.55 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 1.1899999999999999 110.919 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.21 -31.74 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.98 111.101 -179.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.451 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.23 -43.38 64.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 2.79 111.003 -179.926 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 1.3400000000000001 111.286 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 8.4 ptm180 -49.22 -42.49 40.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.121 0.486 . . . . 3.3999999999999999 110.419 -179.777 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.413 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 1.6 mt -64.15 -38.65 91.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 2.0299999999999998 110.075 179.17 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.59 -42.38 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.172 -0.467 . . . . 1.3700000000000001 110.219 179.255 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -33.32 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 2.54 109.797 179.055 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.27 -30.98 68.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 2.7599999999999998 110.245 179.129 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.491 ' CE1' HG23 ' A' ' 6' ' ' ILE . 37.4 p-80 -140.1 71.97 33.84 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.346 -0.388 . . . . 3.8700000000000001 110.924 179.52 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.99 -28.92 4.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.65 2.234 . . . . 2.5699999999999998 112.321 -179.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.233 -0.889 . . . . 6.4699999999999998 110.846 -179.945 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.835 0.35 . . . . 5.2000000000000002 111.162 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.16 -140.48 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 3.3799999999999999 112.503 179.996 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.54 43.57 28.36 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.84 -0.695 . . . . 2.2799999999999998 112.322 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -132.92 -84.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.046 0.451 . . . . 2.71 111.082 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -144.74 -44.86 0.24 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 2.6600000000000001 109.563 179.705 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' B' ' 31' ' ' HIS . 3.1 mt -63.64 -49.43 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.629 -0.714 . . . . 2.3300000000000001 109.721 178.851 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.18 -36.03 60.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 2.1499999999999999 111.176 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.27 -35.03 61.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 2.7799999999999998 110.578 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.99 -41.29 87.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.8799999999999999 110.839 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.4 pt -70.81 -42.59 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 1.5600000000000001 111.265 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -34.72 8.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.441 0.639 . . . . 1.48 110.057 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.6 -50.28 52.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.354 -0.839 . . . . 1.4099999999999999 109.68 178.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 17' ' ' ILE . 37.0 mt -58.73 -48.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 1.1599999999999999 110.575 179.186 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.3 -33.62 9.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.321 -0.4 . . . . 1.29 111.124 179.727 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.47 -28.42 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 1.3500000000000001 110.322 179.665 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.9 mt-10 -85.46 -34.64 21.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 2.0699999999999998 110.962 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 13' ' ' ILE . 11.3 mt -63.66 -31.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 1.54 110.683 179.85 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.61 -39.35 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 1.24 111.337 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.65 -43.54 68.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 1.79 111.066 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CB ' HG12 ' B' ' 17' ' ' ILE . 10.8 mt -69.55 -54.28 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.23 111.096 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -51.63 -34.47 37.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.244 -0.434 . . . . 2.1499999999999999 111.206 -179.67 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.46 65.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 1.28 111.087 179.94 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -36.06 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 2.1299999999999999 111.139 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.6 OUTLIER -68.49 -45.73 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 3.5 111.259 -179.746 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -55.48 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 1.4399999999999999 111.197 -179.564 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -49.39 -42.58 42.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.131 0.491 . . . . 3.0099999999999998 110.454 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -64.91 -39.14 93.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.753 -0.658 . . . . 1.96 110.141 179.155 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.83 -47.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.393 . . . . 1.3400000000000001 110.605 179.578 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.83 -33.56 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 2.5899999999999999 110.014 179.382 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -30.7 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.717 . . . . 2.6800000000000002 110.43 179.271 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 27' ' ' LEU . 48.3 p-80 -141.11 72.66 27.18 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 3.0699999999999998 110.974 179.769 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.46 -26.7 47.33 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.532 2.155 . . . . 2.23 112.276 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 6.25 110.865 -179.984 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.728 0.299 . . . . 5.7999999999999998 110.944 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . 0.468 ' N ' ' HB2' ' B' ' 8' ' ' GLN . . . -114.02 -43.96 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.859 -0.686 . . . . 3.3500000000000001 112.311 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.47 8.14 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.625 -0.798 . . . . 1.99 111.698 -179.332 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -126.22 2.29 7.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.638 0.256 . . . . 2.5899999999999999 111.338 179.655 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.83 32.22 1.95 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.653 0.74 . . . . 2.2200000000000002 109.214 -178.756 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.434 HG21 ' CE1' ' A' ' 31' ' ' HIS . 3.3 mt -150.45 -52.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.543 -1.208 . . . . 2.1200000000000001 108.658 -179.342 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.31 -24.97 3.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.282 -1.326 . . . . 1.9399999999999999 110.337 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.468 ' HB2' ' N ' ' B' ' 2' ' ' GLY . 4.4 tm0? -75.12 -47.9 26.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 2.79 110.454 179.394 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -57.63 -37.05 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.665 -0.698 . . . . 2.79 111.188 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.416 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.1 pt -71.12 -43.44 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 1.7 111.481 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.8 t0 -49.69 -34.66 19.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.386 0.612 . . . . 1.51 109.986 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -67.46 -48.07 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.346 -0.843 . . . . 1.4399999999999999 109.594 179.02 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.488 ' O ' HG13 ' B' ' 17' ' ' ILE . 21.6 mt -59.99 -46.91 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.516 -0.765 . . . . 1.22 110.371 179.162 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -47.98 -34.3 9.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.378 . . . . 1.3200000000000001 111.099 179.79 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -29.21 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.4199999999999999 110.372 179.685 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -84.42 -33.8 23.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 2.0299999999999998 111.118 -179.805 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -64.55 -32.41 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.478 . . . . 1.6000000000000001 110.716 179.903 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.28 -39.14 33.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 1.2 111.306 -179.668 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -54.19 -44.26 71.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.38 -0.373 . . . . 1.5800000000000001 111.167 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.9 mt -67.79 -52.96 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 1.26 111.179 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 2.3599999999999999 111.201 -179.718 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.52 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 1.1899999999999999 111.085 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -69.47 -35.61 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.98 111.101 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -44.55 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 2.79 111.142 -179.815 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -53.55 53.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 1.3400000000000001 111.268 -179.746 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -50.32 -43.32 53.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.031 0.443 . . . . 3.3999999999999999 110.607 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -64.5 -35.71 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 2.0299999999999998 110.202 179.33 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.88 -45.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 1.3700000000000001 110.323 179.4 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -32.57 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 2.54 109.767 179.111 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.12 -30.06 66.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 2.7599999999999998 110.307 179.118 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.478 ' CE1' HG23 ' A' ' 6' ' ' ILE . 46.8 p-80 -146.39 69.2 12.59 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.8700000000000001 111.059 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.26 177.51 4.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.56 2.174 . . . . 2.5699999999999998 112.293 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.308 -0.854 . . . . 6.4699999999999998 110.861 179.989 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.773 0.32 . . . . 5.2000000000000002 111.207 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' HA2' ' HB2' ' A' ' 8' ' ' GLN . . . 127.38 119.34 2.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.719 . . . . 3.3799999999999999 112.626 179.964 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.97 -28.07 11.53 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.364 -0.922 . . . . 2.2799999999999998 111.476 179.074 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.68 -16.83 13.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.873 0.368 . . . . 2.71 110.746 179.221 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.98 30.48 0.91 Allowed 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.689 0.757 . . . . 2.6600000000000001 109.025 -178.761 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.447 HG23 ' CE1' ' B' ' 31' ' ' HIS . 2.3 mt -152.76 -56.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.557 -1.201 . . . . 2.3300000000000001 109.063 -178.997 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.47 -26.76 8.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.588 -1.187 . . . . 2.1499999999999999 110.424 178.683 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.416 ' HB2' ' HA2' ' A' ' 2' ' ' GLY . 3.4 tp60 -80.96 -43.25 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 2.7799999999999998 110.216 179.412 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -59.25 -34.08 71.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.669 -0.696 . . . . 2.8799999999999999 110.838 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -72.68 -43.91 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.5600000000000001 111.3 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.5 m-20 -48.84 -34.82 13.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.454 0.645 . . . . 1.48 109.941 179.66 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.94 -46.98 69.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.201 -0.909 . . . . 1.4099999999999999 109.626 178.891 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 17' ' ' ILE . 40.5 mt -61.21 -47.94 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 1.1599999999999999 110.523 179.269 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 3.7 t0 -47.49 -35.0 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.87 0.367 . . . . 1.29 111.239 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -28.83 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.145 0.498 . . . . 1.3500000000000001 110.525 179.656 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.6 -33.14 23.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.783 -0.644 . . . . 2.0699999999999998 111.009 -179.799 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 13' ' ' ILE . 12.8 mt -64.49 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 1.54 110.705 179.826 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.81 36.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 1.24 111.43 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -44.04 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 1.79 111.181 -179.844 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 10.6 mt -67.61 -53.5 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 1.23 111.233 -179.853 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -50.7 -31.03 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 2.1499999999999999 111.254 -179.663 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.52 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 1.28 111.241 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 2.1299999999999999 111.2 -179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -43.67 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 3.5 111.208 -179.732 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -53.7 50.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.333 . . . . 1.4399999999999999 111.382 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -49.74 -43.6 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.052 0.453 . . . . 3.0099999999999998 110.563 -179.763 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER -64.34 -36.53 84.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 1.96 110.199 179.307 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -63.28 -44.58 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.304 -0.407 . . . . 1.3400000000000001 110.251 179.348 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -33.6 45.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 2.5899999999999999 109.674 179.064 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.43 -30.81 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.579 -0.737 . . . . 2.6800000000000002 110.409 179.06 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CE1' HG23 ' B' ' 6' ' ' ILE . 38.8 p-80 -145.32 82.13 9.92 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.277 -0.42 . . . . 3.0699999999999998 110.986 179.492 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.72 62.01 3.75 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.594 2.196 . . . . 2.23 112.293 -179.945 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 6.25 110.851 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 43.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.745 0.307 . . . . 5.7999999999999998 110.896 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.35 -83.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 3.3500000000000001 112.48 179.922 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 45.28 40.31 7.7 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.974 -0.631 . . . . 1.99 112.381 -179.91 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -123.3 -84.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.45 . . . . 2.5899999999999999 110.917 -179.266 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -140.53 -44.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.656 . . . . 2.2200000000000002 109.392 179.596 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 31' ' ' HIS . 2.3 mt -63.43 -49.97 80.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.635 -0.711 . . . . 2.1200000000000001 109.637 178.538 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -34.31 65.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.058 -0.974 . . . . 1.9399999999999999 110.915 179.787 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.93 -35.73 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 2.79 110.391 179.67 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.95 -41.95 97.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 2.79 110.738 179.772 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.3 pt -70.63 -42.89 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.7 111.21 179.932 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -47.94 -34.47 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.349 0.595 . . . . 1.51 109.983 179.72 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.4 OUTLIER -68.48 -50.1 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.385 -0.825 . . . . 1.4399999999999999 109.718 178.901 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.469 ' O ' HG13 ' B' ' 17' ' ' ILE . 36.0 mt -58.8 -48.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 1.22 110.415 179.148 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -48.69 -33.5 10.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 1.3200000000000001 111.157 179.815 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -28.07 60.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 1.4199999999999999 110.361 179.531 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 19.2 mt-10 -85.7 -35.23 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 2.0299999999999998 110.891 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.469 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.3 mt -63.0 -31.93 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.6000000000000001 110.592 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 -38.13 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 1.2 111.031 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -54.06 -43.49 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.5800000000000001 110.999 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.431 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 10.6 mt -71.16 -52.84 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.26 111.01 179.92 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -52.59 -35.44 54.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 2.3599999999999999 111.122 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.97 65.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 1.1899999999999999 111.136 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.22 -35.25 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.98 111.079 -179.843 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -44.04 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 2.79 111.21 -179.758 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -58.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 1.3400000000000001 111.281 -179.649 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -34.01 7.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 3.3999999999999999 110.509 -179.903 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.463 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 4.9 mp -70.76 -41.89 71.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.94 -0.573 . . . . 2.0299999999999998 109.769 178.847 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.41 -49.14 84.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.546 . . . . 1.3700000000000001 110.57 179.39 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -34.85 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 2.54 109.833 179.223 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.69 -29.64 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.7599999999999998 110.432 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 54.0 p-80 -140.77 77.68 21.58 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.287 -0.415 . . . . 3.8700000000000001 110.952 179.667 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.13 -26.89 42.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.59 2.193 . . . . 2.5699999999999998 112.317 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.17 -0.919 . . . . 6.4699999999999998 110.915 179.963 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.831 0.348 . . . . 5.2000000000000002 111.165 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.41 -120.72 4.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 3.3799999999999999 112.476 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.22 79.96 0.16 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 2.2799999999999998 112.525 -179.964 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 62.56 16.91 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 2.71 111.385 179.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.25 -30.08 49.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.243 0.544 . . . . 2.6600000000000001 110.103 179.636 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.469 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -75.5 -45.76 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.375 -0.83 . . . . 2.3300000000000001 110.297 179.269 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.84 -26.16 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.664 -0.698 . . . . 2.1499999999999999 110.771 179.53 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -43.58 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 2.7799999999999998 110.198 179.514 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -60.31 -40.83 91.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.65 -0.705 . . . . 2.8799999999999999 110.76 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 14.5 pt -68.57 -42.77 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 1.5600000000000001 111.046 179.913 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -47.98 -35.39 10.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.386 0.612 . . . . 1.48 109.88 179.516 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.29 -49.16 68.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.323 -0.853 . . . . 1.4099999999999999 109.49 178.766 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' O ' HG13 ' A' ' 17' ' ' ILE . 39.3 mt -60.21 -47.27 92.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 1.1599999999999999 110.36 179.108 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -48.06 -32.16 6.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 1.29 111.025 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -76.24 -29.29 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 1.3500000000000001 110.382 179.595 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.8 mt-10 -84.38 -34.33 23.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.921 -0.581 . . . . 2.0699999999999998 110.978 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 13' ' ' ILE . 9.0 mt -65.24 -33.03 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 1.54 110.768 179.946 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.64 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 1.24 111.251 -179.784 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -54.31 -46.5 72.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 1.79 110.879 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' B' ' 20' ' ' LEU . 11.0 mt -65.4 -50.24 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 1.23 110.95 179.819 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -53.16 -42.3 66.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.1499999999999999 111.267 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.75 79.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 1.28 111.274 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -65.15 -36.78 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 2.1299999999999999 111.141 -179.851 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.483 ' HG3' ' HB ' ' B' ' 13' ' ' ILE . 0.8 OUTLIER -72.34 -46.21 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 3.5 110.915 -179.943 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -50.54 71.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 1.4399999999999999 111.285 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 12.1 ptt180 -54.08 -42.14 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 3.0099999999999998 110.607 -179.85 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 7.5 mp -73.36 -31.17 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 1.96 110.48 179.002 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.86 -49.87 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.391 -0.368 . . . . 1.3400000000000001 110.442 179.468 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -53.41 -35.77 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.3 0.571 . . . . 2.5899999999999999 109.644 179.192 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' O ' ' HD2' ' A' ' 32' ' ' PRO . 11.4 tp-100 -70.24 -24.45 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.345 -0.843 . . . . 2.6800000000000002 110.044 178.702 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . 0.9 OUTLIER -106.55 62.72 0.18 Allowed Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.819 -0.628 . . . . 3.0699999999999998 111.532 -179.847 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 30' ' ' GLN . 35.0 Cg_endo -64.87 -26.95 59.18 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.408 2.072 . . . . 2.23 112.248 -179.987 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 6.25 110.863 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.819 0.343 . . . . 5.7999999999999998 110.932 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.13 139.2 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 3.3500000000000001 112.482 179.965 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.61 58.3 0.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 1.99 112.468 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.5 13.0 8.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.612 0.226 . . . . 2.5899999999999999 111.612 -179.981 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.43 -29.92 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 2.2200000000000002 110.288 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.623 ' HB ' ' CE1' ' A' ' 31' ' ' HIS . 66.4 mt -76.29 -50.16 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.636 -0.711 . . . . 2.1200000000000001 110.605 179.396 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.32 -39.13 63.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 1.9399999999999999 111.083 -179.669 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.34 -39.32 25.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.009 -0.541 . . . . 2.79 110.538 179.872 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -61.28 -37.69 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 2.79 110.746 179.906 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.424 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 13.9 pt -69.0 -46.52 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 1.7 111.448 179.981 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -49.87 -33.87 18.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.498 0.665 . . . . 1.51 110.198 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -50.46 50.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.323 -0.853 . . . . 1.4399999999999999 109.888 179.183 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.508 ' O ' HG13 ' B' ' 17' ' ' ILE . 46.5 mt -58.4 -47.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 1.22 110.381 179.278 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.19 -35.84 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.3200000000000001 111.234 179.845 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -28.89 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 1.4199999999999999 110.376 179.666 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -86.18 -34.49 20.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.895 -0.593 . . . . 2.0299999999999998 111.322 -179.61 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 13' ' ' ILE . 11.1 mt -63.51 -31.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 1.6000000000000001 110.631 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -40.53 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 1.2 111.257 -179.78 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.37 -44.1 68.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 1.5800000000000001 110.958 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' A' ' 20' ' ' LEU . 9.3 mt -68.13 -53.11 27.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.26 110.981 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -50.46 -33.16 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 2.3599999999999999 111.332 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.31 76.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.1899999999999999 111.151 -179.944 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -66.71 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 1.98 111.197 -179.865 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -44.49 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 2.79 111.259 -179.787 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -53.98 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.3400000000000001 111.295 -179.633 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -49.58 -44.16 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 3.3999999999999999 110.485 -179.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.419 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 5.7 mp -63.74 -37.66 88.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 2.0299999999999998 110.165 179.303 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 t -62.15 -45.8 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.957 0.408 . . . . 1.3700000000000001 110.413 179.359 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.8 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 2.54 109.698 179.031 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.83 -32.12 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 2.7599999999999998 110.249 179.151 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 6' ' ' ILE . 22.1 p-80 -138.97 76.06 34.32 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.287 -0.415 . . . . 3.8700000000000001 111.036 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.08 56.29 5.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.638 2.225 . . . . 2.5699999999999998 112.416 -179.987 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 6.4699999999999998 110.939 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HA ' HD11 ' A' ' 10' ' ' ILE . 17.7 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.895 0.379 . . . . 2.17 110.74 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -76.97 -41.93 41.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 2.37 110.319 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -62.49 -38.96 91.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.669 -0.696 . . . . 2.13 110.671 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.7 pt -70.81 -43.47 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.5 111.233 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.64 -33.99 16.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.478 0.656 . . . . 1.57 109.825 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.57 71.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.195 -0.911 . . . . 1.72 109.114 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' A' ' 17' ' ' ILE . 29.4 mt -59.85 -47.03 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.353 -0.839 . . . . 0.48 110.193 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.6 -32.56 8.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 1.24 111.113 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -28.82 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.71 110.191 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.2 mt-10 -84.98 -34.32 22.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.843 -0.617 . . . . 2.04 111.127 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -64.53 -33.24 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.41 110.682 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.41 -38.34 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.45 111.235 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -44.57 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.394 . . . . 1.54 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 11.1 mt -67.28 -51.84 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.65 -33.92 35.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 1.77 111.286 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.97 71.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.55 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.81 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.26 -33.37 74.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 2.0 111.091 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -71.72 -46.99 56.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.8 111.3 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -55.54 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.56 111.195 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -43.72 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 2.74 110.333 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 1.21 110.064 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.952 0.406 . . . . 1.88 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -76.8 -43.44 36.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 2.42 110.301 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -61.22 -39.61 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.732 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.8 pt -69.78 -43.48 79.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.49 111.226 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.22 -34.14 14.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.452 0.644 . . . . 1.63 109.878 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.43 -47.77 72.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.261 -0.881 . . . . 1.68 109.052 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.697 HG22 HD11 ' B' ' 17' ' ' ILE . 20.1 mt -59.44 -46.5 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.287 -0.869 . . . . 0.44 110.16 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.9 t0 -48.48 -33.09 8.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 1.18 111.055 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.66 60.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.69 110.195 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -85.42 -34.6 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 2.03 111.206 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.8 mt -64.07 -32.74 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.39 110.697 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 -39.6 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 0.43 111.222 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.81 -43.37 69.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 1.57 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -68.41 -52.29 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.56 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -52.26 -33.37 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 1.75 111.249 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.82 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.56 111.08 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.883 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -69.94 -33.21 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.82 111.156 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.18 -43.83 70.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.351 -0.386 . . . . 0.9 111.168 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -55.36 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.66 111.288 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.1 ptm180 -50.06 -42.54 50.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.132 0.492 . . . . 2.77 110.45 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.883 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.4 OUTLIER -63.83 -36.96 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.639 . . . . 1.43 110.003 179.094 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.58 -44.06 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.83 110.04 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -32.17 33.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 2.13 109.495 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.08 -31.81 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.509 -0.769 . . . . 2.16 110.24 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 20.7 p-80 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 116.284 -0.416 . . . . 1.26 111.007 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 2.15 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -79.92 -43.38 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 2.21 110.361 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.589 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -59.9 -36.21 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.654 -0.703 . . . . 2.42 110.768 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -70.49 -43.16 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.132 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -49.14 -34.42 14.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.395 0.617 . . . . 1.48 109.804 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.7 m-20 -67.27 -47.73 69.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.299 -0.864 . . . . 1.41 109.584 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.737 HG22 HD11 ' A' ' 17' ' ' ILE . 42.2 mt -60.94 -47.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.657 -0.701 . . . . 0.48 110.372 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.25 -32.65 7.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.085 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -76.03 -28.83 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.359 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.3 mm-40 -84.45 -33.8 23.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.988 -0.551 . . . . 2.07 110.885 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.6 -33.96 66.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.952 -0.567 . . . . 0.94 110.727 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.55 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.814 -0.63 . . . . 0.66 111.167 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.17 -44.36 71.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 1.79 110.997 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.83 -50.31 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.63 111.003 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.62 -33.73 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.99 111.133 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.47 66.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.65 111.124 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -70.89 -32.9 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.53 111.057 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.4 ttt-85 -72.24 -42.7 65.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 2.89 111.062 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -54.48 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.81 111.231 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -48.72 -43.18 37.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 2.54 110.504 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 1.35 110.075 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.7 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.899 0.381 . . . . 1.94 110.729 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -79.02 -43.7 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.138 0.494 . . . . 2.22 110.151 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 2.37 110.69 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.57 -42.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 1.11 111.021 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.6 OUTLIER -48.04 -34.87 10.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.403 0.62 . . . . 1.51 109.791 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.05 -48.26 68.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.851 . . . . 1.44 109.446 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' B' ' 17' ' ' ILE . 31.1 mt -59.82 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.597 -0.729 . . . . 0.55 110.371 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.1 t70 -48.68 -32.41 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.93 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.19 110.309 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.4 mt-10 -85.32 -35.02 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.39 -33.18 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.06 110.721 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -36.76 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.152 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.15 -45.35 71.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.941 0.401 . . . . 1.58 110.811 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 20' ' ' LEU . 7.5 mt -68.46 -50.5 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.63 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -52.24 -31.29 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.98 111.074 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.78 -33.75 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.62 111.068 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -33.01 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 1.43 110.956 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.876 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -71.76 -40.9 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.042 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -55.52 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.75 111.372 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.413 ' NH1' HD12 ' B' ' 27' ' ' LEU . 7.4 ptm180 -48.72 -42.72 36.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.07 0.462 . . . . 2.89 110.517 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.589 HD21 ' HD2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -62.94 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.629 . . . . 1.38 109.949 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.9 t -61.47 -44.82 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.79 110.128 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -31.54 35.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 2.33 109.713 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.569 -0.742 . . . . 2.39 110.307 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 23.3 p-80 . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.02 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.946 0.403 . . . . 2.15 110.722 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -43.67 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 2.21 110.156 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -60.83 -43.18 98.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.699 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' B' ' 24' ' ' ARG . 13.9 pt -67.15 -42.5 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.95 111.058 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.18 -35.17 11.22 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.886 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -47.09 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.36 -0.836 . . . . 1.41 109.504 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 17' ' ' ILE . 35.3 mt -61.34 -47.72 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.48 110.314 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.921 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t70 -47.96 -31.8 5.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.025 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.9 -29.24 55.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 1.11 110.449 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -84.53 -33.33 23.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 2.07 110.937 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.71 -36.3 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 0.94 110.66 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.06 -34.91 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.691 -0.686 . . . . 0.66 111.277 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -47.95 73.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.79 110.737 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' B' ' 20' ' ' LEU . 7.0 mt -64.01 -51.68 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.838 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -49.03 -30.37 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.474 . . . . 1.99 111.044 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.85 67.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.65 111.004 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.19 -33.23 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 1.53 111.054 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.1 ttt-85 -71.63 -43.11 66.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 2.89 111.129 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -54.73 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.81 111.253 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -49.21 -44.98 43.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 2.54 110.407 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.763 -0.653 . . . . 1.35 109.899 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 CA--C 1.524 -0.041 0 CA-C-O 120.951 0.405 . . . . 1.94 110.722 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.43 -43.2 27.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 2.22 110.114 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -60.57 -36.51 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.567 -0.742 . . . . 2.37 110.815 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.1 pt -70.69 -43.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 1.11 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -48.51 -34.47 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.404 0.621 . . . . 1.51 109.817 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.3 OUTLIER -67.33 -47.01 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.273 -0.876 . . . . 1.44 109.515 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.756 HG22 HD11 ' B' ' 17' ' ' ILE . 35.4 mt -61.0 -48.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.55 110.372 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.41 -31.82 6.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 1.32 110.97 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.38 -28.38 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.393 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 2.03 110.944 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.9 mt -64.17 -34.63 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 1.06 110.647 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.82 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.693 -0.685 . . . . 0.58 111.285 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.33 -43.48 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 1.58 110.848 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -69.6 -49.74 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.63 110.85 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.18 -34.69 32.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 1.98 111.121 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.27 73.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.62 111.035 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -67.07 -32.96 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.43 111.056 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -73.36 -42.96 61.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.28 111.101 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -53.66 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.75 111.209 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -49.85 -44.93 49.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.139 0.495 . . . . 2.89 110.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.413 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 mt -61.57 -37.31 83.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 1.38 110.0 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.2 t -64.82 -43.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.79 110.091 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -52.99 -28.52 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 2.33 109.855 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -76.49 -31.16 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.39 110.497 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.1 p-80 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.9 0.381 . . . . 3.18 110.994 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 10' ' ' ILE . 8.1 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 2.15 110.809 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -74.71 -40.35 61.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.111 0.482 . . . . 2.21 110.195 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -60.69 -40.0 90.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.89 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.6 pt -70.06 -43.18 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.95 111.097 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.7 t70 -47.99 -34.41 9.26 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.389 0.614 . . . . 1.48 109.998 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -68.22 -48.29 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.324 -0.853 . . . . 1.41 109.597 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 17' ' ' ILE . 35.2 mt -59.93 -48.05 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.692 -0.685 . . . . 0.48 110.287 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.83 -32.82 9.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.223 -0.444 . . . . 1.29 111.136 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.87 -28.15 60.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.11 110.288 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 mm-40 -85.7 -35.81 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 2.07 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -62.54 -32.25 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.94 110.64 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.62 -37.16 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.66 111.082 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -54.18 -43.89 71.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.948 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 11.3 mt -70.33 -51.52 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.983 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -32.68 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.99 111.144 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.98 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.65 111.225 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.64 -35.48 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 1.53 111.032 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.3 OUTLIER -66.55 -44.71 81.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 2.89 111.136 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -55.36 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.81 111.239 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -48.8 -42.28 35.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.084 0.469 . . . . 2.54 110.435 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 23' ' ' LYS . 3.6 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 1.35 109.938 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.459 0.009 0 CA-C-O 120.836 0.35 . . . . 1.94 110.82 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.23 -41.79 39.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.163 -0.472 . . . . 2.22 110.335 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.51 80.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 2.37 110.817 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.437 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.3 pt -71.89 -43.87 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 1.11 111.223 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.0 m-20 -49.0 -34.66 13.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.392 0.615 . . . . 1.51 109.88 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 13.1 t0 -67.6 -46.79 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.44 109.521 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' B' ' 17' ' ' ILE . 47.8 mt -61.2 -47.73 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.55 110.29 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.1 t0 -47.89 -33.13 7.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.182 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -75.81 -28.91 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.19 110.418 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.64 -33.84 23.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 2.03 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.7 mt -64.07 -34.31 67.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 1.06 110.649 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 -37.66 43.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.756 -0.657 . . . . 0.58 111.252 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -45.13 73.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.883 0.373 . . . . 1.58 111.09 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 7.6 mt -67.13 -52.99 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.63 111.104 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -33.47 14.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.225 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -33.5 66.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.62 111.137 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 13' ' ' ILE . 10.7 mtpp -70.89 -32.83 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 1.43 111.123 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.74 -42.17 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 2.28 111.236 -179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -54.17 39.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.75 111.339 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -49.66 -44.18 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 2.89 110.476 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.69 -36.52 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 1.38 110.109 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.71 -43.2 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.79 110.133 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.69 -33.16 46.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 2.33 109.65 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.79 -31.7 69.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.577 -0.738 . . . . 2.39 110.199 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.2 p-80 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 3.18 110.971 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 2.15 110.803 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -42.29 21.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.187 0.518 . . . . 2.21 110.149 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.641 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -60.23 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.601 -0.727 . . . . 2.42 110.765 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.2 pt -71.84 -43.53 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.95 111.049 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 14.0 t70 -48.7 -34.62 12.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.354 0.597 . . . . 1.48 109.748 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.97 -49.36 65.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.356 -0.838 . . . . 1.41 109.641 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.681 HG22 HD11 ' A' ' 17' ' ' ILE . 42.9 mt -59.67 -47.29 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.48 110.406 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.43 -32.87 8.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.002 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.66 -28.41 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 1.11 110.381 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.59 -33.85 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 2.07 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.0 mt -64.31 -33.9 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.94 110.663 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.35 -37.08 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.66 111.356 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.98 -43.94 70.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.946 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' B' ' 20' ' ' LEU . 9.6 mt -69.04 -50.76 45.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.937 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.26 -34.65 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 1.99 111.089 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.66 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.65 111.019 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.3 mtpp -69.46 -32.48 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 1.53 111.135 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -71.12 -47.09 59.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 2.89 111.284 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -55.73 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.294 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -43.45 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.069 0.462 . . . . 2.54 110.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 23' ' ' LYS . 1.6 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 1.35 109.956 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.35 . . . . 1.94 110.757 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -78.1 -41.28 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 2.22 110.318 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.74 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.718 -0.673 . . . . 2.37 110.706 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.419 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.6 pt -68.93 -43.28 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.052 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t70 -49.95 -34.7 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 1.51 109.738 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.05 -45.34 81.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.354 -0.839 . . . . 1.44 109.099 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' B' ' 17' ' ' ILE . 34.3 mt -61.05 -45.68 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.327 -0.851 . . . . 0.55 109.956 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.8 t0 -48.68 -32.57 8.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.319 -0.4 . . . . 1.32 110.875 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.53 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.362 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mt-10 -85.06 -33.87 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 2.03 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.24 -34.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 1.06 110.683 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -36.2 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.686 -0.688 . . . . 0.58 111.157 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.73 -44.96 73.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.58 110.895 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 20' ' ' LEU . 6.5 mt -67.69 -50.71 56.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.63 110.912 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -51.71 -30.62 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.98 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -34.0 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.62 110.908 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.06 -34.83 75.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 1.43 110.875 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.881 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.68 -42.23 74.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 2.28 110.887 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -55.28 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.259 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -48.74 -42.79 36.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.105 0.479 . . . . 2.89 110.46 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.641 HD21 ' HD2' ' A' ' 9' ' ' LYS . 5.0 mp -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.38 110.001 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -61.2 -43.45 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.27 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.03 -33.58 52.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.8 -0.637 . . . . 2.33 109.602 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.31 -31.32 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.208 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 19.4 p-80 . . . . . 0 C--N 1.333 -0.129 0 CA-C-N 116.322 -0.399 . . . . 3.18 111.01 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 10' ' ' ILE . 2.8 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.895 0.378 . . . . 2.15 110.793 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.48 -44.55 43.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 2.21 110.201 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -43.87 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.76 -0.654 . . . . 2.42 110.74 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.1 pt -67.29 -42.69 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 0.95 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.34 -35.65 8.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.413 0.625 . . . . 1.48 109.909 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.61 -48.65 68.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.489 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' A' ' 17' ' ' ILE . 28.3 mt -60.08 -46.92 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.48 110.376 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.14 -32.85 7.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.287 -0.415 . . . . 1.29 111.045 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -29.17 59.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.11 110.27 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.6 mt-10 -84.69 -33.72 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 2.07 110.982 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.88 -32.95 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.762 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.79 35.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.66 111.357 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.35 -45.05 69.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.958 0.409 . . . . 1.79 110.904 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 20' ' ' LEU . 10.4 mt -68.3 -49.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.63 110.889 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.74 -37.31 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.99 111.108 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.31 -35.02 77.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.65 110.852 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.9 mtpt -65.37 -33.11 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 1.53 111.073 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.701 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -73.37 -46.93 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 2.89 111.176 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -52.12 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.81 111.332 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -51.72 -47.58 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 2.54 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 HG23 ' B' ' 10' ' ' ILE . 6.6 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 1.35 110.043 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.423 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.907 0.384 . . . . 1.94 110.794 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -76.75 -41.69 43.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 2.22 110.262 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE2' HD21 ' A' ' 27' ' ' LEU . 6.6 mtpt -61.75 -40.72 96.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 2.37 110.684 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.492 HG23 HD23 ' A' ' 27' ' ' LEU . 17.4 pt -69.53 -43.04 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.152 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -48.8 -34.91 13.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.386 0.612 . . . . 1.51 109.985 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.0 -47.73 70.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.309 -0.86 . . . . 1.44 109.398 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.721 HD13 ' HB3' ' A' ' 23' ' ' LYS . 24.1 mt -60.04 -46.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.463 -0.79 . . . . 0.55 110.162 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.71 -32.53 8.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.009 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -28.78 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.19 110.304 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.0 mm-40 -85.03 -33.9 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 2.03 111.009 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.2 -32.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.06 110.773 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.33 -37.31 32.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 0.58 111.25 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.49 -43.74 68.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 20' ' ' LEU . 7.3 mt -70.13 -49.94 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.63 110.969 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -37.68 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.159 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.31 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.62 111.196 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.568 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.4 mtpt -70.26 -32.46 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.43 111.02 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.7 ttt-85 -72.42 -43.99 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 2.28 111.088 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -53.89 48.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.395 . . . . 0.75 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -48.96 -43.67 40.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.089 0.471 . . . . 2.89 110.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.2 mt -63.55 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.779 -0.646 . . . . 1.38 110.126 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 23.2 t -63.81 -44.06 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.79 110.249 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -31.52 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 2.33 109.807 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -71.37 -32.17 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.634 -0.712 . . . . 2.39 110.285 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 22.9 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.278 -0.419 . . . . 3.18 111.004 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.867 0.365 . . . . 2.15 110.718 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -78.45 -40.83 34.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 2.21 110.132 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -61.74 -38.97 89.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.698 -0.683 . . . . 2.42 110.777 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.445 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.0 pt -69.45 -43.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.06 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -48.87 -35.49 14.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.447 0.642 . . . . 1.48 109.658 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -66.67 -44.61 81.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.228 -0.897 . . . . 1.41 109.101 178.553 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 17' ' ' ILE . 14.7 mt -60.9 -47.28 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 0.48 110.139 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.7 t0 -48.51 -32.63 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.947 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -28.58 59.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.11 110.335 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' HD12 ' B' ' 20' ' ' LEU . 15.5 mt-10 -85.31 -35.25 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 2.07 110.981 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -63.16 -33.23 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.542 . . . . 0.94 110.715 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -36.57 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.702 -0.681 . . . . 0.66 111.17 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -44.13 71.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 1.79 110.809 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.5 mt -69.21 -51.14 40.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.63 110.862 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.87 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 1.99 111.098 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.81 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.65 110.936 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -68.62 -35.54 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 1.53 110.852 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.34 -41.58 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 2.89 111.158 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -54.81 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.81 111.411 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -49.36 -44.08 44.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.07 0.462 . . . . 2.54 110.473 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.601 . . . . 1.35 109.866 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.941 0.401 . . . . 1.94 110.744 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -77.83 -42.57 33.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 2.22 110.127 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.97 -36.81 80.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 2.37 110.79 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.2 pt -71.25 -43.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 1.11 111.151 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 7.4 t70 -48.39 -34.75 11.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.348 0.594 . . . . 1.51 109.761 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 32.5 m-20 -67.53 -47.49 69.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.3 -0.864 . . . . 1.44 109.543 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.696 HG22 HD11 ' B' ' 17' ' ' ILE . 35.7 mt -60.47 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.55 110.345 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.54 -32.55 8.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.32 111.019 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.62 -28.26 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.19 110.389 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 5.8 mm-40 -85.08 -35.12 22.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 2.03 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -62.96 -34.53 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.06 110.623 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.9 38.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.744 -0.662 . . . . 0.58 111.193 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.13 -41.68 68.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.58 111.074 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -70.91 -56.14 6.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.63 111.069 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -39.19 36.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 1.98 111.12 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.51 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.817 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD23 ' B' ' 27' ' ' LEU . 10.1 mtpp -74.54 -33.18 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 1.43 110.926 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 19.5 ttt180 -72.33 -44.22 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 2.28 111.149 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -54.45 45.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.75 110.829 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -49.84 -42.78 48.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.89 110.335 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.0 mm? -63.49 -38.16 90.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.794 -0.639 . . . . 1.38 109.888 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.0 t -64.18 -43.08 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.79 110.339 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -52.83 -32.78 46.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 2.33 109.978 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -71.2 -32.03 68.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 2.39 110.329 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 38.5 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.905 0.383 . . . . 3.18 111.092 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 10' ' ' ILE . 7.0 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.844 0.354 . . . . 2.15 110.667 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -75.55 -43.1 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 2.21 110.086 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -43.96 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 2.42 110.698 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.1 pt -66.61 -42.48 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.95 110.911 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.65 -35.18 9.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.378 0.609 . . . . 1.48 109.879 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.82 -48.51 68.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.61 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' A' ' 17' ' ' ILE . 38.4 mt -60.17 -47.11 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.632 -0.713 . . . . 0.48 110.335 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.9 t0 -48.73 -31.98 7.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 1.29 110.985 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.64 58.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.334 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.32 -33.69 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -65.13 -33.57 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.593 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -36.52 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.66 111.218 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -53.28 -43.37 67.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 1.79 110.837 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' B' ' 20' ' ' LEU . 6.8 mt -70.33 -50.14 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.63 110.757 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.56 -34.99 52.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.88 -33.09 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.65 110.898 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.43 -36.42 81.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 1.53 110.835 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.726 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -65.81 -46.85 77.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 2.89 111.067 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -55.56 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.227 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.6 ptm180 -49.64 -43.56 46.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.101 0.476 . . . . 2.54 110.432 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 23' ' ' LYS . 3.1 mm? . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 1.35 109.968 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.826 0.346 . . . . 1.94 110.686 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -39.25 29.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.11 0.481 . . . . 2.22 110.244 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -36.9 84.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 2.37 110.656 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.0 pt -70.11 -43.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.11 111.133 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.4 t0 -50.63 -34.82 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.429 0.633 . . . . 1.51 109.722 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -44.99 83.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.241 -0.89 . . . . 1.44 109.201 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.678 HG22 HD11 ' B' ' 17' ' ' ILE . 25.3 mt -61.9 -46.84 95.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.313 -0.858 . . . . 0.55 110.134 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.9 t0 -47.99 -31.46 5.35 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.277 -0.42 . . . . 1.32 110.93 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -30.13 55.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 1.19 110.493 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.9 mt-10 -83.9 -32.31 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.599 . . . . 2.03 111.012 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -65.71 -36.25 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 1.06 110.718 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.36 55.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 0.58 111.356 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 1.58 110.857 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' A' ' 20' ' ' LEU . 6.3 mt -63.8 -51.1 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.63 110.79 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -48.86 -30.58 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 1.98 110.976 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.99 -36.85 67.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.62 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -66.4 -31.89 72.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 1.43 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.22 -42.61 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 2.28 111.122 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -54.25 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.75 111.32 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.9 -45.49 50.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.104 0.478 . . . . 2.89 110.399 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.435 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 mt -60.38 -36.75 78.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.811 -0.632 . . . . 1.38 110.077 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.1 t -65.14 -42.5 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.79 110.108 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -52.78 -29.5 27.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.876 -0.602 . . . . 2.33 109.955 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.42 -31.08 57.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 2.39 110.471 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.6 p-80 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.946 0.403 . . . . 3.18 111.08 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.905 0.383 . . . . 2.15 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -79.81 -40.48 28.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 2.21 110.119 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.14 -36.31 79.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 2.42 110.732 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.6 pt -71.12 -43.21 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.383 -0.371 . . . . 0.95 111.09 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.44 -34.34 16.39 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.372 0.606 . . . . 1.48 109.826 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.5 m-20 -67.82 -45.85 73.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.523 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 30.6 mt -61.7 -47.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.551 -0.75 . . . . 0.48 110.327 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.86 -32.4 8.8 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.3 -0.409 . . . . 1.29 111.003 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.97 -28.51 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 1.11 110.357 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.4 mm-40 -84.06 -33.99 24.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 2.07 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.7 mt -64.28 -34.84 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.94 110.743 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -35.86 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.66 111.436 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 1.79 110.78 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -62.79 -52.97 61.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.63 110.945 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.48 -30.15 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 1.99 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.09 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.65 110.935 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -67.83 -31.32 71.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.17 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.727 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -71.97 -42.46 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 2.89 111.248 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.22 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.81 111.464 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -39.09 26.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.037 0.446 . . . . 2.54 110.645 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 1.35 109.948 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.905 0.383 . . . . 1.94 110.753 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -40.18 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 2.22 110.11 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -61.78 -36.92 82.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 2.37 110.803 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.28 -43.58 78.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.11 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.2 m-20 -49.71 -34.64 19.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.433 0.635 . . . . 1.51 109.804 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.14 -45.57 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.356 178.731 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.715 HG22 HD11 ' B' ' 17' ' ' ILE . 19.4 mt -61.16 -48.06 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.55 110.221 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.9 t0 -48.7 -31.62 7.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.242 -0.435 . . . . 1.32 111.0 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -28.46 57.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.19 110.357 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 6.4 mm-40 -85.54 -34.68 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.843 -0.617 . . . . 2.03 110.967 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.6 mt -64.17 -33.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 1.06 110.74 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.58 33.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.647 . . . . 0.58 111.16 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.8 -43.61 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.58 110.839 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.56 -51.05 39.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.63 110.837 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.12 -32.89 37.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.115 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.57 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.62 110.904 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.17 -36.46 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.43 111.03 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.883 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -67.85 -43.71 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 2.28 111.027 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.34 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.75 111.227 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 15.1 ptm180 -49.36 -44.07 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 2.89 110.367 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 1.38 109.937 179.146 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 24' ' ' ARG . 27.9 t -64.53 -44.47 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.059 -0.519 . . . . 0.79 110.106 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.39 -28.04 18.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.815 -0.629 . . . . 2.33 109.9 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -32.07 59.08 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.654 -0.703 . . . . 2.39 110.421 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.6 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.083 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.1 tp10 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.927 0.394 . . . . 2.15 110.793 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.52 -44.95 40.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.14 0.495 . . . . 2.21 110.201 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -59.95 -43.64 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.841 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.468 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.0 pt -67.2 -42.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.95 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -47.36 -35.5 8.27 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.4 0.619 . . . . 1.48 109.931 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -47.57 71.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.869 . . . . 1.41 109.371 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.646 HG22 HD11 ' A' ' 17' ' ' ILE . 24.8 mt -60.25 -46.76 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.602 -0.726 . . . . 0.48 110.305 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.28 -32.86 7.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.988 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.36 -29.09 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.399 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.4 mt-10 -84.91 -33.46 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 2.07 111.031 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -65.19 -32.67 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.94 110.704 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.44 -37.37 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.66 111.239 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.4 -45.01 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.96 0.409 . . . . 1.79 110.822 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' B' ' 20' ' ' LEU . 7.3 mt -68.62 -50.12 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.63 110.905 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -50.4 -36.85 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.99 111.144 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.65 110.962 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.801 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.3 -33.28 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 1.53 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -74.37 -46.96 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 2.89 111.162 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -54.08 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.81 111.22 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -46.03 62.2 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 2.54 110.353 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.104 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.843 0.354 . . . . 1.94 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.86 -44.01 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.106 0.479 . . . . 2.22 110.373 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -40.64 91.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.756 -0.657 . . . . 2.37 110.801 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' B' ' 7' ' ' GLU . 16.5 pt -68.03 -42.65 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.11 111.172 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 37.8 t70 -49.23 -34.92 16.08 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.364 0.602 . . . . 1.51 109.957 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -47.44 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.363 -0.835 . . . . 1.44 109.201 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.0 mt -60.46 -46.29 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.412 -0.813 . . . . 0.55 110.152 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.901 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.4 t0 -48.33 -32.45 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 1.32 110.955 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -29.45 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 1.19 110.326 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.1 mt-10 -84.36 -33.99 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 2.03 111.039 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.88 -33.58 64.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 1.06 110.738 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.23 -37.16 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.58 111.26 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -43.98 69.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 1.58 111.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' A' ' 20' ' ' LEU . 10.1 mt -69.59 -49.55 52.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.967 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.45 -38.94 60.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 1.98 111.247 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.92 94.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.62 111.213 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.567 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -67.02 -33.99 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.09 -44.6 62.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 2.28 111.288 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -55.76 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.75 111.266 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -41.38 28.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 2.89 110.488 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.4 mt -65.59 -38.52 89.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.914 -0.585 . . . . 1.38 110.024 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.4 t -62.52 -46.23 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.254 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -52.1 -32.12 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 2.33 109.702 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.87 -32.21 71.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.64 -0.709 . . . . 2.39 110.224 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 28.6 p-80 . . . . . 0 CA--C 1.529 0.144 0 CA-C-N 116.225 -0.443 . . . . 3.18 111.043 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.958 0.409 . . . . 2.15 110.821 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -78.95 -43.34 24.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.17 0.509 . . . . 2.21 110.284 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -37.82 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.665 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.54 HG23 ' CD2' ' B' ' 27' ' ' LEU . 18.3 pt -69.71 -43.16 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.95 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t70 -48.96 -34.97 14.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.399 0.619 . . . . 1.48 109.955 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.93 -47.66 71.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.37 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.2 mt -60.2 -46.04 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.549 -0.751 . . . . 0.48 110.23 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.937 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.7 t0 -48.38 -33.8 9.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 1.29 110.939 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.11 110.364 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.7 mm-40 -84.86 -34.05 22.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 2.07 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.51 -32.56 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.94 110.683 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.67 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.276 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -54.1 -44.2 71.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.982 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -68.87 -51.96 34.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.63 111.016 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -35.19 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.121 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.13 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.65 111.077 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.618 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -70.58 -35.74 73.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.071 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -69.89 -41.47 74.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 2.89 111.178 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -55.23 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.81 111.336 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 11.4 ptm180 -48.86 -41.56 33.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.01 0.433 . . . . 2.54 110.605 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.566 . . . . 1.35 110.059 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.892 0.377 . . . . 1.94 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -77.82 -41.52 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 2.22 110.259 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.68 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 2.37 110.783 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.62 -43.42 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.184 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.6 t0 -48.37 -34.53 10.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.398 0.618 . . . . 1.51 109.871 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.51 -48.22 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.831 . . . . 1.44 109.603 178.742 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 37.2 mt -60.57 -47.8 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.704 . . . . 0.55 110.374 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.932 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.31 -33.1 8.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 1.32 111.02 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.37 -28.46 59.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.349 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.84 -34.23 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 2.03 110.889 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.14 -33.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 1.06 110.689 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -37.41 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.635 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.82 -44.51 70.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 1.58 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -68.6 -50.66 49.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.63 111.01 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.14 -40.61 46.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 1.98 111.231 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.62 110.916 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.16 -35.33 80.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 1.43 111.033 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.92 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.7 -44.79 61.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 2.28 111.278 -179.685 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -56.73 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.75 111.349 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.638 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.79 -42.83 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.121 0.486 . . . . 2.89 110.487 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.638 HD12 ' HD2' ' B' ' 26' ' ' ARG . 0.3 OUTLIER -63.26 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 1.38 109.93 179.055 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 24' ' ' ARG . 47.3 t -60.55 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.79 110.198 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -33.79 43.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.623 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.83 -30.51 69.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.46 -0.791 . . . . 2.39 110.308 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 24.5 p-80 . . . . . 0 CA--C 1.528 0.131 0 CA-C-N 116.256 -0.429 . . . . 3.18 110.903 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.8 tt0 . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.96 0.409 . . . . 2.15 110.645 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -76.7 -41.56 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 2.21 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.796 -0.638 . . . . 2.42 110.778 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.3 pt -70.58 -43.32 77.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.95 111.161 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t70 -49.61 -34.6 18.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.425 0.631 . . . . 1.48 109.86 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 4.4 m-20 -67.04 -46.36 74.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.243 -0.889 . . . . 1.41 109.183 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.3 mt -60.03 -46.31 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.096 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.62 -33.76 10.44 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.248 -0.433 . . . . 1.29 111.024 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.66 -28.3 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.11 110.389 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.0 mt-10 -85.24 -34.36 21.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 2.07 111.05 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.02 -32.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.792 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -39.74 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.693 -0.685 . . . . 0.66 111.315 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.83 -42.75 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.79 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.94 -54.23 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.63 111.046 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -51.98 -33.49 38.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 1.99 111.264 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.74 63.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.65 111.226 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.71 -35.42 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.53 111.173 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -66.77 -44.55 81.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 2.89 111.303 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -57.4 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.81 111.175 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -39.5 25.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 2.54 110.418 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 12.9 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.073 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.901 0.381 . . . . 1.94 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.34 -40.53 43.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 2.22 110.286 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -63.04 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 2.37 110.692 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 11' ' ' ASP . 21.7 pt -71.02 -43.64 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.277 -0.42 . . . . 1.11 111.208 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.438 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t0 -50.28 -34.25 22.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.324 0.583 . . . . 1.51 109.882 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.381 -0.827 . . . . 1.44 109.209 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.65 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.99 -45.58 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.162 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.3 t0 -48.74 -33.59 10.53 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.941 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -28.39 60.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 1.19 110.398 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.28 -33.33 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.964 -0.562 . . . . 2.03 111.068 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -64.65 -33.26 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.153 0.501 . . . . 1.06 110.719 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -38.04 34.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 0.58 111.2 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -43.67 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 1.58 111.048 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.53 -52.87 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.63 111.039 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -36.58 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 1.98 111.163 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -28.55 63.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.065 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.685 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.26 -34.94 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.43 111.129 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.7 -45.46 71.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.263 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -55.3 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.375 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.49 -45.01 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 2.89 110.379 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -61.17 -38.19 85.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 1.38 109.951 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.8 t -63.34 -44.83 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 116.205 -0.452 . . . . 0.79 110.104 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -52.15 -28.1 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.856 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.83 -30.67 56.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.727 -0.669 . . . . 2.39 110.502 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 31.4 p-80 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.853 0.359 . . . . 3.18 111.055 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.882 0.373 . . . . 2.15 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.53 -34.64 47.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 2.21 110.324 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.83 83.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.849 -0.614 . . . . 2.42 110.807 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.0 pt -70.55 -43.15 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.084 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.29 -34.73 10.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.39 0.614 . . . . 1.48 109.882 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -67.65 -48.18 67.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.328 -0.851 . . . . 1.41 109.485 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.668 HG22 HD11 ' A' ' 17' ' ' ILE . 35.5 mt -59.68 -47.56 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 0.48 110.342 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.954 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.46 -32.98 8.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.366 -0.379 . . . . 1.29 111.026 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.17 -28.3 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.406 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.8 mt-10 -85.19 -35.06 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.0 -33.42 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.94 110.652 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -36.79 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.247 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -44.29 73.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.997 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.32 -51.17 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.63 111.015 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -38.03 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.21 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.92 72.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.222 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -33.63 69.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 1.53 111.098 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' B' ' 17' ' ' ILE . 4.9 ttt-85 -73.2 -43.91 60.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 2.89 111.158 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.43 65.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 0.81 111.249 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -50.53 -45.86 56.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 2.54 110.457 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.8 mm? . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.966 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.479 ' HA ' HD11 ' B' ' 10' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 1.94 110.735 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.38 -42.32 54.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.486 . . . . 2.22 110.189 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -61.78 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 2.37 110.756 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.479 HD11 ' HA ' ' B' ' 7' ' ' GLU . 13.0 pt -68.35 -42.57 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 1.11 111.156 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.41 -35.81 8.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.417 0.627 . . . . 1.51 109.839 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 3.5 m-20 -66.79 -47.32 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 1.44 109.388 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 mt -60.42 -47.33 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.709 . . . . 0.55 110.331 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.14 -32.77 7.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 1.32 111.043 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -28.91 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.19 110.398 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.1 mt-10 -84.88 -33.46 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.582 . . . . 2.03 110.926 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -64.86 -33.36 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 1.06 110.78 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -36.65 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.58 111.218 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.04 -44.0 70.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.97 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -69.51 -50.99 39.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.63 110.915 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -52.17 -30.95 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.98 111.118 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.93 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.62 111.007 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.86 ' O ' HD23 ' B' ' 27' ' ' LEU . 13.9 mtpt -72.38 -32.68 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 1.43 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -70.52 -42.07 71.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 2.28 110.986 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -57.21 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.75 111.351 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.478 ' CD ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -48.59 -35.53 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.387 . . . . 2.89 110.64 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.86 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.5 mm? -70.0 -39.1 76.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 1.38 109.804 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.1 t -62.87 -45.69 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.79 110.193 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.9 -33.47 50.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.718 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.282 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 56.3 p-80 . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 116.328 -0.396 . . . . 3.18 111.039 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 41.3 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.886 0.374 . . . . 2.15 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.38 -39.49 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.028 0.442 . . . . 2.21 110.329 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -62.53 -37.88 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 2.42 110.808 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -70.85 -43.02 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.95 111.212 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t0 -50.61 -34.34 25.63 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.265 0.555 . . . . 1.48 109.918 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -45.9 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.324 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' B' ' 23' ' ' LYS . 35.3 mt -60.97 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.385 -0.825 . . . . 0.48 110.171 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 13.0 t0 -48.56 -33.56 9.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.972 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.85 -28.69 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.11 110.351 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -84.67 -34.42 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.933 -0.576 . . . . 2.07 110.924 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.38 -32.24 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.94 110.712 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -37.02 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.66 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.42 -43.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.969 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -70.03 -51.51 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.3 -33.28 28.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 1.99 111.191 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.08 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.65 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -74.54 -31.86 62.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.53 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.769 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -72.52 -44.67 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.118 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -56.62 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.81 111.28 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -47.98 -39.06 18.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.071 0.462 . . . . 2.54 110.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HD12 ' B' ' 13' ' ' ILE . 13.6 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 1.35 109.758 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.899 0.381 . . . . 1.94 110.771 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -43.14 25.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 2.22 110.126 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -60.64 -36.03 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 2.37 110.79 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.3 pt -71.53 -43.56 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 1.11 111.152 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.64 -34.76 12.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.445 0.641 . . . . 1.51 109.781 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 7.3 m-20 -67.51 -47.37 70.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.281 -0.872 . . . . 1.44 109.46 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 27' ' ' LEU . 24.7 mt -60.03 -47.11 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.389 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.938 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -49.06 -33.07 10.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.294 -0.412 . . . . 1.32 111.004 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -74.67 -28.21 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.318 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.3 mt-10 -84.67 -34.88 22.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 2.03 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' B' ' 14' ' ' ASP . 12.5 mt -63.37 -32.58 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 1.06 110.815 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.35 -37.96 31.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.58 111.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.16 -43.69 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 1.58 111.037 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 20' ' ' LEU . 10.2 mt -69.35 -52.22 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.037 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -37.23 39.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.98 111.195 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -33.5 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.62 111.018 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -67.64 -36.19 80.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 1.43 111.016 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.38 -42.99 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.22 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -56.7 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.75 111.219 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 3.5 ptm180 -49.93 -37.05 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.06 0.457 . . . . 2.89 110.717 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.634 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.7 OUTLIER -69.43 -37.57 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 1.38 109.926 179.087 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.0 t -62.62 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.79 109.971 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -54.2 -30.98 51.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 2.33 109.504 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -72.83 -29.82 63.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.707 . . . . 2.39 110.458 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 42.2 p-80 . . . . . 0 CA--C 1.53 0.177 0 CA-C-N 116.356 -0.384 . . . . 3.18 111.06 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.739 0.304 . . . . 2.15 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -76.19 -36.68 58.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 2.21 110.725 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -57.71 -44.95 86.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.991 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' NH2' ' B' ' 24' ' ' ARG . 12.9 pt -67.92 -42.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 0.95 111.26 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -46.65 -35.62 6.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.47 0.652 . . . . 1.48 110.056 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.4 t70 -67.98 -47.77 67.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 1.41 109.492 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 17' ' ' ILE . 31.2 mt -60.36 -48.46 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 0.48 110.521 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.96 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.02 -33.23 7.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 1.29 111.176 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 1.11 110.388 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.77 -34.41 22.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.875 -0.602 . . . . 2.07 110.936 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.2 mt -63.89 -34.09 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.996 -0.547 . . . . 0.94 110.738 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.5 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.673 -0.694 . . . . 0.66 111.274 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.05 -48.17 73.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 1.79 110.837 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' B' ' 20' ' ' LEU . 7.9 mt -63.69 -53.45 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.883 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -47.97 -30.1 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 1.99 111.102 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.77 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.65 110.999 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB2' HD13 ' B' ' 13' ' ' ILE . 55.1 mmtt -68.41 -31.8 71.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 1.53 110.967 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -72.74 -43.33 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 2.89 111.213 -179.696 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -55.52 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.81 111.343 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -48.85 -43.59 38.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 2.54 110.598 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.763 -0.653 . . . . 1.35 110.078 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 1.94 110.692 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -79.74 -43.35 22.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 2.22 110.083 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -60.16 -34.84 74.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.662 -0.699 . . . . 2.37 110.765 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.7 pt -72.49 -43.5 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 1.11 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.14 -34.56 10.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.382 0.611 . . . . 1.51 109.852 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 42.4 m-20 -67.99 -49.27 62.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 1.44 109.651 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.743 HG22 HD11 ' B' ' 17' ' ' ILE . 40.0 mt -59.82 -48.18 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.772 -0.649 . . . . 0.55 110.43 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -32.77 8.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.338 -0.392 . . . . 1.32 111.088 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -75.19 -28.14 59.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.319 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -85.22 -35.61 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 2.03 110.903 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.0 mt -62.96 -32.95 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.778 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.49 -38.06 30.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.58 111.132 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -53.52 -42.9 67.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 1.58 110.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' A' ' 20' ' ' LEU . 12.2 mt -70.02 -50.27 43.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.9 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.89 -41.46 58.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.172 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -34.61 78.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.159 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' A' ' 13' ' ' ILE . 1.5 mtpm? -68.71 -35.57 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 1.43 111.113 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.901 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.03 -40.67 68.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 2.28 111.125 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.96 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.75 111.403 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.407 ' CZ ' ' CD2' ' B' ' 27' ' ' LEU . 1.3 ptm180 -50.43 -42.57 54.15 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.898 0.38 . . . . 2.89 110.613 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -63.82 -36.03 82.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 1.38 110.01 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.0 t -65.16 -45.38 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.79 110.4 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.09 -33.41 26.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.969 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.47 -32.11 67.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 2.39 110.359 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 50.0 p-80 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.18 111.017 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.838 0.351 . . . . 2.15 111.041 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.21 -35.68 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 2.21 110.538 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' HE3' HD21 ' B' ' 27' ' ' LEU . 8.6 ttpt -57.93 -40.87 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 2.42 110.807 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.551 HG23 HD22 ' B' ' 27' ' ' LEU . 15.3 pt -69.61 -43.18 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.95 111.167 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -34.98 5.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.399 0.619 . . . . 1.48 109.998 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.9 -50.09 58.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.331 -0.849 . . . . 1.41 109.643 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -58.81 -47.75 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.48 110.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.64 -32.96 9.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.353 -0.385 . . . . 1.29 110.966 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.0 -28.09 60.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.11 110.361 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.4 mt-10 -85.77 -34.25 21.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.96 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -64.4 -32.35 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.635 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -37.0 28.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.66 111.149 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.79 -43.41 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' B' ' 20' ' ' LEU . 7.8 mt -70.66 -50.79 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.63 110.954 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -52.4 -32.18 37.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.109 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.93 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.65 111.002 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -71.37 -32.44 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 1.53 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.601 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.9 ttt-85 -72.03 -40.61 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 2.89 111.037 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -57.69 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.321 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.38 -37.94 18.13 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.044 0.449 . . . . 2.54 110.601 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 1.35 109.708 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.874 0.368 . . . . 1.94 110.757 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -40.04 24.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.164 0.507 . . . . 2.22 110.075 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -35.05 75.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 2.37 110.72 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.511 HG23 HD23 ' A' ' 27' ' ' LEU . 17.2 pt -71.79 -43.74 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 1.11 111.225 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.66 -35.02 12.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.447 0.641 . . . . 1.51 109.795 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.21 -46.57 73.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.315 -0.857 . . . . 1.44 109.49 178.763 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 34.2 mt -61.42 -47.46 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.582 -0.736 . . . . 0.55 110.298 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.11 -32.67 7.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.417 . . . . 1.32 111.106 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.22 -29.04 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.43 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.59 -32.97 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.893 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -65.23 -34.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.663 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.25 -36.06 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.309 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -47.83 72.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 1.58 110.787 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 20' ' ' LEU . 9.4 mt -63.73 -51.31 65.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.856 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -49.33 -30.38 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.98 111.126 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.82 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.62 111.015 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.493 ' HB2' HD13 ' A' ' 13' ' ' ILE . 6.0 mmtp -66.94 -31.52 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.43 111.011 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.88 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.72 -44.76 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.097 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -54.05 45.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.75 111.234 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.45 ' CD ' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -50.24 -43.67 53.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 2.89 110.512 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.608 HD21 ' HE3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.11 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 1.38 110.081 179.114 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.2 t -62.99 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.173 -0.467 . . . . 0.79 110.425 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.93 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.995 -0.548 . . . . 2.33 109.887 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -71.45 -29.86 65.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.584 -0.735 . . . . 2.39 110.403 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 52.8 p-80 . . . . . 0 CA--C 1.529 0.137 0 CA-C-N 116.291 -0.413 . . . . 3.18 111.004 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.33 . . . . 2.15 110.756 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -80.91 -40.83 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 2.21 110.139 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -36.01 79.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.767 -0.651 . . . . 2.42 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -70.59 -42.8 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.95 110.997 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -50.52 -34.33 24.91 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.339 0.59 . . . . 1.48 109.811 179.484 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -67.07 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.304 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.2 mt -61.11 -46.37 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.508 -0.769 . . . . 0.48 110.134 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.94 -32.57 9.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.888 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.58 -28.34 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 1.11 110.35 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.01 -34.2 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 2.07 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.49 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.94 110.727 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.94 33.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 0.66 111.17 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.93 -42.9 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.79 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' B' ' 20' ' ' LEU . 8.0 mt -70.92 -49.87 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.63 110.932 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG2' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -51.33 -38.27 52.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 1.99 111.217 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.88 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.65 111.08 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -68.38 -34.47 76.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 1.53 110.99 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.634 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.6 ttt-85 -73.28 -43.32 61.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 2.89 111.194 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -55.44 23.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.218 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -43.29 39.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 2.54 110.42 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 11.7 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.744 -0.662 . . . . 1.35 110.019 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' HD11 ' B' ' 10' ' ' ILE . 3.8 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 1.94 110.769 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -42.67 32.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.469 . . . . 2.22 110.243 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -39.48 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.714 -0.675 . . . . 2.37 110.667 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' B' ' 11' ' ' ASP . 16.2 pt -69.32 -42.84 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.11 111.065 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.5 t70 -48.86 -34.83 13.34 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.451 0.643 . . . . 1.51 109.875 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 51.5 m-20 -67.02 -46.43 74.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.431 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' B' ' 17' ' ' ILE . 33.1 mt -61.17 -47.04 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.346 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.3 -32.98 8.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 1.32 110.995 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.01 -28.79 57.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 1.19 110.446 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -84.32 -33.38 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 2.03 110.817 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.75 -34.07 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 1.06 110.671 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.69 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.311 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -45.37 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 1.58 110.97 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' A' ' 20' ' ' LEU . 9.6 mt -67.38 -50.85 58.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.63 110.938 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -50.52 -36.41 34.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.98 111.157 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.45 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.62 110.863 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -68.77 -35.58 77.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 1.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -69.4 -43.14 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 2.28 111.141 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -56.16 18.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.307 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 7.0 ptp180 -49.64 -40.12 38.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.032 0.444 . . . . 2.89 110.516 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.476 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 1.0 OUTLIER -65.6 -38.76 90.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.006 -0.543 . . . . 1.38 109.798 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.5 t -62.48 -45.64 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.065 -0.516 . . . . 0.79 110.128 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -30.02 22.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 2.33 109.702 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.59 63.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.505 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 34.5 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-N 116.326 -0.397 . . . . 3.18 110.974 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 2.15 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.92 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 2.21 110.573 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -59.34 -41.09 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 2.42 110.97 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -69.24 -43.45 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.95 111.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 m-20 -47.99 -34.69 9.7 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.307 0.575 . . . . 1.48 109.978 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.1 t70 -67.41 -48.48 67.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 1.41 109.52 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 17' ' ' ILE . 35.4 mt -60.15 -48.51 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.62 -0.718 . . . . 0.48 110.365 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.0 -32.05 6.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.295 -0.411 . . . . 1.29 111.16 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -29.01 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.391 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.3 mt-10 -84.43 -35.49 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 2.07 110.916 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -63.52 -34.02 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 0.94 110.711 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.23 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.67 -0.695 . . . . 0.66 111.348 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.02 -50.09 69.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 1.79 110.688 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -61.55 -50.87 70.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.63 110.876 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.85 8.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 1.99 110.928 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -32.13 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.695 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.821 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.4 mmtp -66.0 -35.98 82.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 1.53 110.776 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.702 ' HG3' HD11 ' B' ' 17' ' ' ILE . 1.5 mtp180 -73.13 -46.19 52.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 2.89 111.31 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -53.0 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.81 111.217 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.7 ptp180 -52.39 -44.58 65.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 2.54 110.514 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.375 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.731 0.301 . . . . 1.94 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.21 -39.44 54.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.092 0.472 . . . . 2.22 110.375 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -61.51 -38.0 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.836 -0.62 . . . . 2.37 110.887 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.426 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.0 pt -71.64 -43.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.11 111.227 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.426 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.56 -34.25 17.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.336 0.589 . . . . 1.51 109.914 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -48.74 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 1.44 109.527 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 20.4 mt -59.63 -47.84 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.548 -0.751 . . . . 0.55 110.407 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.6 -32.19 7.77 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.32 110.977 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -28.77 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 1.19 110.313 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.3 mt-10 -85.08 -36.07 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 2.03 111.077 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -62.87 -33.11 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 1.06 110.765 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 -36.79 32.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.58 111.213 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.92 -44.74 70.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.817 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -68.71 -49.92 54.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.63 110.764 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -50.73 -34.01 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 1.98 111.034 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.48 -35.11 70.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.62 110.861 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.542 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.9 mtpt -68.03 -35.33 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.43 110.983 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.886 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -70.2 -42.76 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 2.28 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -53.09 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.212 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -50.19 -43.8 52.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.06 0.457 . . . . 2.89 110.606 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.4 mm? -63.17 -35.55 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 1.38 110.103 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -65.51 -44.31 94.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.79 110.227 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -30.98 33.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.927 -0.579 . . . . 2.33 109.853 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -74.13 -30.68 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.672 -0.694 . . . . 2.39 110.303 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.439 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 54.7 p-80 . . . . . 0 C--O 1.232 0.167 0 CA-C-N 116.235 -0.439 . . . . 3.18 111.039 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.904 0.383 . . . . 2.15 110.788 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.32 -39.46 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 2.21 110.202 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -61.83 -36.59 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.635 -0.711 . . . . 2.42 110.734 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.6 pt -71.04 -43.5 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.95 111.102 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.44 -34.14 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.367 0.603 . . . . 1.48 109.827 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.5 m-20 -67.62 -46.62 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.333 -0.849 . . . . 1.41 109.481 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -61.56 -48.15 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.48 110.381 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.22 -32.22 6.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.421 . . . . 1.29 111.011 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -29.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 1.11 110.396 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.7 mm-40 -84.57 -33.59 23.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 2.07 110.966 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.83 -34.44 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.65 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.03 -36.55 40.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.755 -0.657 . . . . 0.66 111.27 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -45.2 71.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.86 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -67.41 -50.56 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.63 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -52.57 -30.96 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 1.99 111.141 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -33.4 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.65 111.055 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.47 -32.21 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.53 111.076 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.713 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.7 -45.14 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 2.89 111.039 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -54.54 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.115 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.7 ptm180 -50.92 -43.17 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 2.54 110.464 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.7 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 1.35 110.019 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.731 0.3 . . . . 1.94 111.063 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.06 -35.42 42.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 2.22 110.404 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -38.12 87.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 2.37 110.757 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.3 pt -70.96 -43.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.11 111.14 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' B' ' 10' ' ' ILE . 26.5 t0 -49.97 -34.46 20.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.356 0.598 . . . . 1.51 109.922 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.03 -47.58 70.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.421 -0.809 . . . . 1.44 109.311 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.709 HG22 HD11 ' B' ' 17' ' ' ILE . 18.4 mt -60.12 -46.73 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.411 -0.813 . . . . 0.55 110.216 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -48.57 -32.57 8.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.34 -0.391 . . . . 1.32 110.892 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -28.64 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 1.19 110.359 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.7 mt-10 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.921 -0.581 . . . . 2.03 111.02 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.57 -33.75 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 1.06 110.713 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.78 -36.82 36.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.25 -44.97 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.871 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' A' ' 20' ' ' LEU . 6.0 mt -67.74 -51.18 52.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.63 110.901 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -50.22 -31.76 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 1.98 111.154 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.92 -36.73 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.021 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -68.47 -31.14 70.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 1.43 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.864 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -73.15 -42.66 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 2.28 110.929 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -56.45 12.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.75 111.268 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -40.28 26.77 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.976 0.417 . . . . 2.89 110.468 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 13' ' ' ILE . 18.9 mt -64.69 -39.23 93.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 1.38 109.84 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -62.41 -45.23 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.79 110.171 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -52.32 -31.3 32.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 2.33 109.731 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 2.39 110.168 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 28.4 p-80 . . . . . 0 C--O 1.232 0.157 0 CA-C-N 116.306 -0.406 . . . . 3.18 111.001 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.993 0.425 . . . . 2.15 110.658 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.85 26.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 2.21 110.089 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -35.13 77.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.638 -0.71 . . . . 2.42 110.737 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 21.0 pt -71.55 -43.79 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.95 111.198 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 3.3 t0 -50.0 -34.8 22.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.39 0.614 . . . . 1.48 109.776 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.82 -46.39 75.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.302 -0.863 . . . . 1.41 109.497 178.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.3 mt -61.31 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.539 -0.755 . . . . 0.48 110.313 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.17 -32.51 7.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 1.29 111.027 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.99 -29.08 58.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.39 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -84.5 -34.05 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 2.07 110.935 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.18 -34.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.663 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.85 45.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.235 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.34 -47.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 1.79 110.862 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' B' ' 20' ' ' LEU . 7.6 mt -63.74 -53.11 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.63 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.92 -31.09 4.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.99 111.213 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.91 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.65 111.074 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 27' ' ' LEU . 7.3 mmtp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.53 111.068 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -71.15 -42.78 68.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 2.89 111.211 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -56.3 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.81 111.419 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.484 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.66 -37.13 27.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.922 0.391 . . . . 2.54 110.759 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.8 mp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 1.35 109.845 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.817 0.342 . . . . 1.94 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.45 -37.87 42.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 2.22 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.64 -37.92 83.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.758 -0.655 . . . . 2.37 110.787 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.4 pt -71.24 -43.38 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.11 111.209 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 24.3 t70 -48.18 -34.94 10.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.394 0.616 . . . . 1.51 109.843 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 5.6 t0 -68.3 -46.98 68.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.576 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.782 HG22 HD11 ' B' ' 17' ' ' ILE . 35.1 mt -60.69 -49.03 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.699 . . . . 0.55 110.394 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.9 t70 -48.7 -32.17 7.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.35 -0.387 . . . . 1.32 111.077 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -28.23 59.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 1.19 110.377 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.49 -36.4 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.914 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.2 mt -62.52 -32.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 1.06 110.803 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.66 -38.43 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.58 111.249 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.48 -43.47 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.345 -0.389 . . . . 1.58 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' A' ' 20' ' ' LEU . 11.8 mt -69.64 -51.39 35.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.63 110.962 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -52.67 -33.95 49.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 1.98 111.12 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -30.54 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.62 111.006 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 13' ' ' ILE . 21.5 mtpt -71.54 -33.64 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 1.43 111.149 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.85 -46.55 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.072 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -54.26 46.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.75 111.232 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.0 ptm180 -50.43 -44.87 55.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.074 0.464 . . . . 2.89 110.392 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.2 mp -61.48 -37.43 83.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.873 -0.603 . . . . 1.38 109.975 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -63.64 -45.44 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.2 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -28.03 15.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 2.33 109.927 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -31.86 58.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.47 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' B' ' 28' ' ' VAL . 21.1 p-80 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.911 0.386 . . . . 3.18 111.108 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 N--CA 1.459 0.014 0 CA-C-O 120.893 0.378 . . . . 2.15 110.767 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -77.1 -38.9 51.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 2.21 110.213 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HE2' HD21 ' B' ' 27' ' ' LEU . 11.8 ttpt -63.18 -37.31 86.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.665 . . . . 2.42 110.822 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.6 pt -71.73 -43.27 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.216 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.4 t70 -50.72 -33.93 24.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.406 0.622 . . . . 1.48 109.977 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.31 -47.34 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.357 -0.838 . . . . 1.41 109.249 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.664 HG22 HD11 ' A' ' 17' ' ' ILE . 20.8 mt -60.09 -45.87 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.411 -0.813 . . . . 0.48 110.226 178.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.923 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.271 -0.422 . . . . 1.29 111.002 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -28.29 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 1.11 110.407 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.2 mt-10 -85.27 -34.04 22.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 2.07 110.988 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.41 -32.25 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.132 0.492 . . . . 0.94 110.812 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.51 30.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 0.66 111.187 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.18 -43.46 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.98 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -68.68 -54.66 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.056 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.78 -34.49 27.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 1.99 111.211 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.36 61.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.65 111.024 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.4 mtpm? -73.17 -33.76 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.53 111.212 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.728 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -68.89 -44.91 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 2.89 111.177 -179.801 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -55.43 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.81 111.351 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -49.58 -43.05 45.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.019 0.437 . . . . 2.54 110.491 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD21 ' HD2' ' B' ' 9' ' ' LYS . 5.4 mp . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.35 110.096 179.192 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.938 0.399 . . . . 1.94 110.637 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -77.44 -39.61 46.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 2.22 110.07 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.606 ' HD2' HD21 ' A' ' 27' ' ' LEU . 3.6 ttmt -62.8 -38.81 92.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.676 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.45 HG23 HD23 ' A' ' 27' ' ' LEU . 19.7 pt -70.59 -43.21 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 1.11 111.092 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' B' ' 10' ' ' ILE . 32.8 t0 -49.27 -34.85 16.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.406 0.622 . . . . 1.51 109.822 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.29 -46.19 74.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.376 -0.829 . . . . 1.44 109.331 178.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.545 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.18 -45.04 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.55 110.202 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.2 t0 -49.28 -34.15 14.63 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.263 -0.426 . . . . 1.32 110.907 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -28.16 61.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.325 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.9 mt-10 -84.85 -34.36 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 2.03 111.039 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -64.24 -32.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 1.06 110.75 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.81 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.274 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.2 -43.57 70.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 1.58 110.993 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.42 -53.07 26.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.63 111.064 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.18 -35.58 36.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.98 111.348 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.17 64.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.078 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.749 ' O ' HD12 ' B' ' 27' ' ' LEU . 16.9 mtpt -71.62 -33.51 69.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.43 111.236 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.63 -43.55 68.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 2.28 111.271 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -57.6 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.75 111.164 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 2.1 ptp180 -49.08 -35.87 17.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.089 0.471 . . . . 2.89 110.621 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.749 HD12 ' O ' ' B' ' 23' ' ' LYS . 4.3 mt -70.54 -39.62 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 1.38 109.97 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' B' ' 24' ' ' ARG . 35.4 t -60.9 -45.71 97.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 0.79 110.145 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.23 -34.89 59.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.636 . . . . 2.33 109.516 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -65.53 -30.49 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 2.39 110.24 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.9 p-80 . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 116.301 -0.409 . . . . 3.18 110.971 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.374 . . . . 2.15 110.879 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -38.77 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 2.21 110.186 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HE3' HD11 ' B' ' 27' ' ' LEU . 5.9 ttmm -59.67 -39.11 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.756 -0.656 . . . . 2.42 110.914 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.02 -43.19 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.95 111.14 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -47.96 -34.86 9.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.281 0.562 . . . . 1.48 109.939 179.54 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.58 -49.57 62.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.644 178.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' A' ' 17' ' ' ILE . 36.8 mt -59.4 -47.77 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.755 -0.657 . . . . 0.48 110.456 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.51 -32.8 8.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.089 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.1 -28.52 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 1.11 110.405 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.1 mt-10 -85.08 -35.05 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 2.07 110.925 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.31 -33.0 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.94 110.682 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 -37.74 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.795 -0.639 . . . . 0.66 111.186 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -42.7 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 1.79 110.951 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' B' ' 20' ' ' LEU . 11.2 mt -70.68 -50.59 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.63 110.925 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -48.81 -43.59 38.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 1.99 111.264 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.94 93.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.868 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.801 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -60.35 -35.12 74.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.916 179.857 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -73.34 -43.83 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 2.89 111.163 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -56.67 14.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.247 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.613 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.22 -40.69 48.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.987 0.422 . . . . 2.54 110.488 -179.797 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 1.35 109.832 178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 1.94 110.841 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.97 -39.18 35.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.082 0.468 . . . . 2.22 110.335 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -37.92 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.37 110.725 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -70.53 -42.79 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 1.11 111.211 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.9 -34.68 21.02 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.405 0.622 . . . . 1.51 109.892 179.58 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.64 -46.99 73.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.305 -0.861 . . . . 1.44 109.272 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.8 mt -60.4 -46.41 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.421 -0.809 . . . . 0.55 110.216 178.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 10.8 t0 -48.27 -33.14 8.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.298 -0.41 . . . . 1.32 110.996 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.16 -29.15 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 1.19 110.359 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.4 mt-10 -84.44 -34.27 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 2.03 111.062 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.36 -32.89 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 1.06 110.768 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.43 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.58 111.272 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.25 -45.14 72.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.58 110.926 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -67.91 -50.97 53.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.63 110.938 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.09 -32.31 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.091 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.61 66.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.981 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 27' ' ' LEU . 44.1 mttt -69.47 -35.67 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.43 111.059 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.93 -44.72 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 2.28 111.055 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -53.51 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.75 111.272 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.3 ptp180 -50.2 -42.31 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 2.89 110.624 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.473 HD11 ' HE3' ' A' ' 9' ' ' LYS . 3.4 mm? -65.53 -36.29 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.954 -0.567 . . . . 1.38 110.058 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.3 t -64.83 -44.46 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.113 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -52.03 -33.27 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 2.33 109.754 179.113 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -68.68 -34.13 75.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 2.39 110.129 178.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 44.7 p-80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.97 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.924 0.392 . . . . 2.15 110.812 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.77 -41.19 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 2.21 110.172 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.17 -34.29 76.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.713 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.7 pt -72.82 -43.44 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.95 111.269 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 t70 -50.39 -34.2 23.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.36 0.6 . . . . 1.48 109.863 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.3 -48.17 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.448 178.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 HD11 ' A' ' 17' ' ' ILE . 25.0 mt -59.63 -46.51 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.514 -0.766 . . . . 0.48 110.333 178.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t0 -48.28 -34.26 10.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.118 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.24 -28.7 61.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.11 110.397 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.2 mt-10 -85.07 -34.03 22.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.856 -0.611 . . . . 2.07 111.064 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.33 -32.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.069 0.461 . . . . 0.94 110.789 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -39.54 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.651 . . . . 0.66 111.363 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.75 -43.58 69.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.313 -0.403 . . . . 1.79 111.046 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' B' ' 20' ' ' LEU . 10.7 mt -68.96 -54.21 16.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.63 111.142 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -52.84 -32.89 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.99 111.362 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.6 -29.43 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.65 111.181 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.94 -35.68 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.53 111.23 -179.782 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.72 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -66.08 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 2.89 111.299 -179.665 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -56.84 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.81 110.983 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.2 ptm180 -49.07 -39.76 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 2.54 110.4 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 23' ' ' LYS . 4.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.79 -0.641 . . . . 1.35 110.229 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.37 . . . . 1.94 110.786 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -77.19 -40.26 45.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.5 . . . . 2.22 110.274 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -63.41 -36.31 83.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.84 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.7 pt -72.11 -43.69 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.11 111.292 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.45 ' N ' HG13 ' B' ' 10' ' ' ILE . 6.7 m-20 -50.52 -34.35 24.97 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.417 0.627 . . . . 1.51 109.858 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.22 72.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.299 -0.864 . . . . 1.44 109.334 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 22.9 mt -60.25 -45.98 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.55 110.297 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.0 t0 -48.21 -34.12 9.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.275 -0.42 . . . . 1.32 110.966 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.65 -28.93 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 1.19 110.401 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -84.82 -33.13 22.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.856 -0.611 . . . . 2.03 111.02 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -65.15 -32.57 58.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 1.06 110.733 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -38.29 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.58 111.306 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -44.18 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.58 110.959 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 20' ' ' LEU . 11.5 mt -67.98 -53.72 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.63 111.208 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.82 -34.12 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 1.98 111.351 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.97 -29.3 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.62 111.18 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.22 -35.11 66.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.43 111.205 -179.797 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.23 -47.36 68.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.321 -179.678 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -54.53 44.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.75 111.274 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.23 -43.96 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 2.89 110.373 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -63.66 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.92 -0.582 . . . . 1.38 110.037 179.269 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -62.57 -46.39 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.79 110.306 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -51.92 -29.95 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 2.33 109.784 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -72.48 -31.56 65.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.637 -0.71 . . . . 2.39 110.337 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 23.1 p-80 . . . . . 0 CA--C 1.53 0.199 0 CA-C-N 116.341 -0.39 . . . . 3.18 110.979 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.9 tt0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.827 0.346 . . . . 2.15 110.762 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -76.23 -42.22 46.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 2.21 110.38 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -62.57 -40.87 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 2.42 110.796 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.0 pt -68.71 -42.63 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.134 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.4 t0 -50.31 -34.8 24.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.391 0.615 . . . . 1.48 109.873 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.64 -46.55 78.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.265 -0.88 . . . . 1.41 109.178 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 17' ' ' ILE . 29.9 mt -61.27 -45.59 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.259 -0.882 . . . . 0.48 110.156 178.846 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 12.6 t0 -47.51 -33.08 5.91 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.992 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -30.05 57.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.366 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.26 -31.38 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 2.07 111.097 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.1 mt -66.46 -35.14 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.94 110.65 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.44 52.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.66 111.437 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.92 -45.19 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.953 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 4.8 mt -66.53 -51.13 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.63 111.023 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -50.78 -34.21 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 1.99 111.094 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.18 74.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.65 110.958 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.02 -35.64 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.084 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.709 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -68.78 -44.16 74.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 2.89 111.319 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -55.48 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.81 111.377 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 2.3 ptt85 -49.57 -42.75 45.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.036 0.446 . . . . 2.54 110.565 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.933 -0.576 . . . . 1.35 110.089 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.931 0.396 . . . . 1.94 110.562 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -76.72 -40.81 47.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 2.22 110.106 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -61.87 -43.29 99.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.74 -0.664 . . . . 2.37 110.623 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 15.5 pt -67.01 -42.58 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.11 111.007 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.02 -34.88 14.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.34 0.59 . . . . 1.51 109.867 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.38 -46.75 75.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.389 -0.823 . . . . 1.44 109.231 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 26.2 mt -60.3 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.424 -0.807 . . . . 0.55 109.947 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -49.11 -32.38 9.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 1.32 110.909 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -75.57 -28.45 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.19 110.295 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.0 mt-10 -85.37 -33.8 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 2.03 111.044 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -65.12 -32.63 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.06 110.698 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.85 -36.63 31.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.58 111.187 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.74 -44.45 69.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.81 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.86 -50.13 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.63 110.899 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -55.33 -33.55 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.149 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.44 71.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.62 111.125 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.625 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.8 mtpt -70.67 -32.67 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.027 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.925 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.17 -45.75 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 2.28 111.132 -179.855 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -56.01 22.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.75 111.241 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -49.26 -43.0 42.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.89 110.288 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.8 mt -62.55 -39.32 93.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.795 -0.639 . . . . 1.38 109.921 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.0 t -63.85 -44.29 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.152 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -52.1 -28.41 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 2.33 109.978 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -77.35 -30.83 54.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.678 -0.692 . . . . 2.39 110.54 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 29.9 p-80 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.891 0.376 . . . . 3.18 111.068 179.668 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.857 0.36 . . . . 2.15 111.099 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -78.64 -38.53 39.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 2.21 110.369 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -40.07 89.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.78 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -68.44 -43.03 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.177 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.1 t0 -49.17 -34.53 14.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.344 0.592 . . . . 1.48 109.868 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -66.62 -47.54 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.407 -0.815 . . . . 1.41 109.283 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.829 HD13 ' HB3' ' B' ' 23' ' ' LYS . 26.0 mt -59.76 -46.12 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.48 110.093 178.694 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 t0 -49.13 -31.89 9.01 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.222 -0.444 . . . . 1.29 110.908 179.55 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 1.11 110.287 179.461 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 20' ' ' LEU . 16.9 mt-10 -85.04 -34.04 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.795 -0.639 . . . . 2.07 111.031 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -65.12 -32.54 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.94 110.719 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.01 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.573 . . . . 0.66 111.235 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -53.36 -44.21 68.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.79 110.866 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -69.97 -49.57 50.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.798 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.3 -34.96 62.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.99 111.025 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.88 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.65 111.014 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 mtpt -69.14 -32.97 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 1.53 110.952 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.07 -46.19 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 2.89 111.073 -179.833 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.83 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.81 111.041 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -49.32 -42.87 42.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 2.54 110.357 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 23' ' ' LYS . 2.5 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.69 -0.687 . . . . 1.35 110.115 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 1.3 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.033 0.444 . . . . 1.94 110.766 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -76.98 -42.17 40.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.982 -0.554 . . . . 2.22 110.336 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -38.54 89.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 2.37 110.825 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.9 pt -69.82 -43.24 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 1.11 111.195 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -50.13 -34.71 23.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.377 0.608 . . . . 1.51 109.871 179.594 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -46.66 76.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.322 -0.854 . . . . 1.44 109.239 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 26.0 mt -61.02 -46.05 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.168 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.928 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.06 -32.58 6.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.18 -0.464 . . . . 1.32 111.008 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.24 -29.43 57.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 1.19 110.352 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.7 mm-40 -84.53 -32.25 24.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 2.03 111.054 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.928 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.86 -34.61 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.06 110.674 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.08 -37.6 46.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.297 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.41 -43.64 68.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 1.58 110.996 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -68.55 -50.07 54.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.63 110.826 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.9 -41.53 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 1.98 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.85 98.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.62 110.71 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.829 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -58.33 -34.76 70.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 1.43 110.971 179.838 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -73.47 -45.6 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 2.28 111.185 -179.867 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -55.25 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.75 111.246 -179.533 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -43.17 55.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.426 . . . . 2.89 110.433 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 23' ' ' LYS . 0.5 OUTLIER -62.51 -37.65 86.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 1.38 109.807 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.3 t -63.77 -44.58 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.126 179.23 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -30.0 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 2.33 109.868 179.131 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -31.62 60.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.635 -0.711 . . . . 2.39 110.47 179.235 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 44.6 p-80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 3.18 110.97 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.3 tp10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.811 0.339 . . . . 2.15 110.999 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -78.5 -44.43 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.152 0.501 . . . . 2.21 110.364 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -60.11 -39.84 87.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.787 179.77 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 7' ' ' GLU . 13.2 pt -68.99 -42.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.95 111.147 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.36 -36.04 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.424 0.631 . . . . 1.48 109.698 179.553 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 5.3 m-20 -66.81 -44.23 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.28 -0.873 . . . . 1.41 109.168 178.596 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.689 HG22 HD11 ' A' ' 17' ' ' ILE . 10.4 mt -61.63 -48.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.268 178.879 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.877 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.0 t0 -47.76 -31.55 4.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.268 -0.424 . . . . 1.29 111.123 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -76.91 -28.88 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.11 110.462 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' HD12 ' B' ' 20' ' ' LEU . 7.4 mm-40 -85.48 -35.58 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.027 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 14' ' ' ASP . 8.7 mt -63.8 -34.02 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.618 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -36.66 37.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 0.66 111.2 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -42.71 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.79 110.988 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -71.06 -50.32 35.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.63 110.876 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.33 -40.26 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 1.99 110.971 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.96 73.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.65 110.861 179.724 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -71.83 -33.11 68.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.53 110.8 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB2' HD11 ' B' ' 17' ' ' ILE . 19.5 ttt180 -74.49 -43.18 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.018 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -53.94 51.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.81 110.825 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -50.16 -43.56 52.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 2.54 110.174 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 1.35 109.894 179.027 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.438 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.895 0.379 . . . . 1.94 110.735 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -76.49 -42.6 42.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.22 110.226 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.09 -40.72 96.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.702 -0.681 . . . . 2.37 110.798 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.1 pt -68.94 -42.84 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.364 -0.38 . . . . 1.11 111.146 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -48.99 -35.64 15.74 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.421 0.629 . . . . 1.51 109.732 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.7 m-20 -66.41 -43.86 84.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 1.44 109.192 178.489 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.67 HG22 HD11 ' B' ' 17' ' ' ILE . 13.1 mt -62.0 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.55 110.243 178.82 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.0 t0 -47.5 -31.73 4.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.182 -0.463 . . . . 1.32 111.079 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -29.94 55.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 1.19 110.509 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 13' ' ' ILE . 11.2 mm-40 -84.49 -33.73 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.906 -0.588 . . . . 2.03 111.107 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.32 -36.46 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 1.06 110.603 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.62 -36.56 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 0.58 111.319 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -43.71 69.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.58 110.884 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 20' ' ' LEU . 5.5 mt -68.55 -50.69 49.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.63 111.014 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -41.75 49.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 1.98 111.013 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.48 93.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.62 110.898 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -62.85 -34.58 77.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.959 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 14.6 ttt180 -75.85 -43.47 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.194 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -54.56 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 0.75 110.955 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.74 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 2.89 110.374 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -62.29 -37.0 83.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 1.38 109.966 178.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.5 t -63.2 -44.86 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.006 -0.543 . . . . 0.79 110.235 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -31.01 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 2.33 109.683 179.009 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.86 -31.91 66.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.606 -0.724 . . . . 2.39 110.29 179.143 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.3 p-80 . . . . . 0 CA--C 1.529 0.155 0 CA-C-N 116.27 -0.423 . . . . 3.18 111.038 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 2.15 111.065 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -78.05 -36.15 48.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 2.21 110.446 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -39.6 82.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.811 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.0 pt -70.07 -42.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.95 111.166 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.3 t70 -47.96 -34.68 9.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.411 0.624 . . . . 1.48 109.947 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.86 -48.88 64.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.492 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.739 HG22 HD11 ' A' ' 17' ' ' ILE . 38.6 mt -59.43 -47.41 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.48 110.313 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.74 -33.12 9.64 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.129 179.696 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -28.39 60.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.078 0.466 . . . . 1.11 110.351 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.0 mt-10 -85.35 -34.91 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.833 -0.621 . . . . 2.07 110.934 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.1 mt -63.76 -32.16 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.94 110.705 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.87 -38.08 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.66 111.243 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -43.43 69.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.318 -0.401 . . . . 1.79 111.0 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -69.59 -55.15 10.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.041 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -51.09 -33.28 25.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 1.99 111.211 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.081 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.83 -33.55 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 1.53 111.177 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.732 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -68.81 -45.37 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.371 . . . . 2.89 111.114 -179.828 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -56.34 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.114 -179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -49.13 -41.84 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.088 0.471 . . . . 2.54 110.359 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD12 HD12 ' B' ' 13' ' ' ILE . 15.3 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.803 -0.635 . . . . 1.35 110.109 179.103 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HA ' HD11 ' B' ' 10' ' ' ILE . 2.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.925 0.393 . . . . 1.94 110.693 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -77.22 -42.17 38.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 2.22 110.226 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -61.76 -38.54 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 2.37 110.746 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.417 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -70.19 -43.08 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 1.11 111.178 179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' B' ' 10' ' ' ILE . 8.1 t70 -49.74 -34.63 19.61 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 1.51 109.919 179.664 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.51 -46.15 73.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.842 . . . . 1.44 109.288 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.534 HG22 HD11 ' B' ' 17' ' ' ILE . 16.2 mt -60.69 -44.99 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.55 110.166 178.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.964 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -49.31 -34.31 15.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 1.32 110.936 179.485 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.19 -28.16 61.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 1.19 110.306 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.8 mm-40 -84.81 -34.19 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.94 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.964 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.03 -32.57 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.06 110.629 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -37.96 33.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.58 111.267 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.84 -44.33 73.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.58 111.081 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 20' ' ' LEU . 9.8 mt -68.06 -53.21 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.63 111.074 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -50.92 -30.34 14.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.212 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.8 -31.49 59.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.62 111.049 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.484 ' O ' HD23 ' B' ' 27' ' ' LEU . 28.1 mttm -72.87 -32.37 65.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 1.43 111.012 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.08 -40.67 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.191 -179.807 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -55.44 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.75 111.407 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 6.5 ptp85 -49.45 -41.69 40.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.971 0.415 . . . . 2.89 110.543 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 23' ' ' LYS . 1.6 mm? -63.44 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 1.38 109.788 179.038 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.39 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.79 110.124 179.311 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -29.51 22.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.884 -0.598 . . . . 2.33 109.98 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -75.84 -30.1 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.48 179.186 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.42 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 51.7 p-80 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 116.367 -0.379 . . . . 3.18 111.049 179.656 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 2.15 111.0 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -78.36 -32.95 49.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 2.21 110.599 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -38.6 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.789 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.94 -43.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.95 111.19 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t0 -50.01 -34.48 21.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.376 0.608 . . . . 1.48 109.929 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.96 -46.71 73.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.231 178.79 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.665 HG22 HD11 ' A' ' 17' ' ' ILE . 24.0 mt -60.64 -47.15 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.487 -0.779 . . . . 0.48 110.219 178.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.32 -32.42 7.39 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.305 -0.407 . . . . 1.29 111.062 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.93 -28.94 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.397 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.7 mt-10 -84.66 -34.52 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 2.07 110.972 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -63.76 -34.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.715 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -36.63 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.659 . . . . 0.66 111.292 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.02 -46.92 75.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 1.79 110.881 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -64.89 -51.73 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.63 111.014 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -32.98 19.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 1.99 111.237 -179.731 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -30.76 63.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.65 110.995 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.9 mttp -70.37 -31.18 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 1.53 111.105 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.727 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -73.1 -48.09 38.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 2.89 111.212 -179.784 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -54.66 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.81 111.266 -179.606 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -44.79 51.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 2.54 110.412 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 1.35 110.064 179.268 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.898 0.38 . . . . 1.94 110.743 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -78.32 -41.05 34.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 2.22 110.312 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.56 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.769 -0.651 . . . . 2.37 110.745 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.4 pt -69.55 -42.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.11 110.96 179.747 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.3 t0 -50.05 -34.34 21.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.393 0.616 . . . . 1.51 109.813 179.55 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.66 -46.28 76.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.168 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 29.7 mt -60.37 -45.89 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.333 -0.849 . . . . 0.55 110.122 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.89 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -48.84 -32.77 9.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 1.32 110.87 179.452 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -28.39 59.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 1.19 110.368 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.3 mt-10 -85.44 -34.47 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 2.03 110.992 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -64.12 -33.35 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 1.06 110.655 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -36.6 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.654 . . . . 0.58 111.08 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.36 -44.19 71.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.805 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' A' ' 20' ' ' LEU . 6.7 mt -68.89 -50.71 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.63 110.851 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.24 -32.11 35.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 1.98 111.031 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -31.16 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.62 110.875 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.5 mttm -70.04 -31.87 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 1.43 111.019 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.15 -45.39 60.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.369 . . . . 2.28 111.001 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -54.08 48.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.75 111.284 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -50.71 -44.73 58.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.079 0.466 . . . . 2.89 110.447 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.05 -36.25 81.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.869 -0.605 . . . . 1.38 110.068 179.155 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -64.46 -45.62 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 116.16 -0.473 . . . . 0.79 110.291 179.261 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -29.87 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.987 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.39 -30.49 60.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.664 -0.698 . . . . 2.39 110.482 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 54.5 p-80 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 3.18 111.085 179.613 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 2.15 110.706 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -78.36 -40.64 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 2.21 110.244 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -63.05 -36.48 83.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.762 -0.654 . . . . 2.42 110.76 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.3 pt -71.6 -42.96 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.95 111.12 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.2 t70 -51.11 -33.85 28.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 1.48 109.97 179.547 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.05 -46.9 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.332 -0.849 . . . . 1.41 109.3 178.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.68 HG22 HD11 ' A' ' 17' ' ' ILE . 26.3 mt -60.63 -45.94 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.48 110.167 178.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.45 -33.51 9.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.211 -0.45 . . . . 1.29 111.023 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.24 -28.85 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 1.11 110.333 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.4 mm-40 -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 2.07 111.057 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -66.06 -32.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.771 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 -37.71 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.66 111.281 -179.69 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.98 -44.88 71.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 1.79 110.879 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.21 -52.02 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.63 111.025 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG3' HG21 ' B' ' 17' ' ' ILE . 7.7 tt0 -52.64 -33.59 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.291 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.13 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.65 111.13 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -69.19 -34.87 75.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.154 -179.871 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.736 ' HG3' HD11 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -69.75 -46.06 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 2.89 111.267 -179.65 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -55.34 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.81 111.253 -179.605 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -50.23 -43.68 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 2.54 110.459 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 HG23 ' B' ' 10' ' ' ILE . 5.2 mp . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 1.35 110.114 179.213 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.411 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.39 . . . . 1.94 110.704 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -76.01 -41.32 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 2.22 110.319 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -38.1 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.767 -0.651 . . . . 2.37 110.844 179.721 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.492 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.8 pt -71.08 -43.64 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 1.11 111.162 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.1 t0 -49.01 -35.0 14.34 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.388 0.613 . . . . 1.51 110.012 179.744 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.79 -48.57 68.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.406 -0.815 . . . . 1.44 109.463 178.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.662 HG22 HD11 ' B' ' 17' ' ' ILE . 29.4 mt -59.98 -44.59 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.471 -0.786 . . . . 0.55 110.17 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.3 t0 -48.6 -34.22 11.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.239 -0.437 . . . . 1.32 110.946 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.55 -28.8 61.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 1.19 110.305 179.405 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.4 mm-40 -84.95 -32.8 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 2.03 111.07 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.95 -31.97 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 1.06 110.725 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.23 -38.09 31.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 0.58 111.227 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.61 -44.12 69.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.58 111.013 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -69.44 -52.39 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.63 110.959 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.2 -32.09 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.98 111.262 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.31 63.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.62 111.13 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -72.53 -32.62 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.43 111.299 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.919 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.47 -47.17 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.353 -179.724 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -56.1 25.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.75 111.159 -179.527 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -49.59 -41.44 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.07 0.462 . . . . 2.89 110.276 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 13' ' ' ILE . 27.8 mt -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.079 179.081 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.919 HG23 ' O ' ' B' ' 24' ' ' ARG . 21.5 t -64.57 -46.64 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 121.018 0.437 . . . . 0.79 110.393 179.313 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -50.67 -30.71 14.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 2.33 110.045 179.32 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.12 -33.47 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.753 -0.658 . . . . 2.39 110.466 179.282 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 30.5 p-80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.984 0.421 . . . . 3.18 111.128 179.519 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.808 0.337 . . . . 2.15 111.156 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -76.92 -36.12 56.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.09 0.471 . . . . 2.21 110.297 179.59 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD3' HD21 ' B' ' 27' ' ' LEU . 28.5 tttm -59.43 -42.06 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.652 . . . . 2.42 110.76 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -68.3 -43.01 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.95 111.222 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -48.15 -34.95 10.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.422 0.63 . . . . 1.48 109.962 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -46.85 71.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.855 . . . . 1.41 109.424 178.719 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' A' ' 17' ' ' ILE . 17.9 mt -59.99 -48.23 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.349 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.73 -31.97 7.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.004 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.6 -28.59 58.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 1.11 110.282 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.31 -34.99 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 2.07 111.03 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.4 mt -64.29 -33.13 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.94 110.786 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -37.69 34.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 0.66 111.236 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -44.22 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 1.79 110.825 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' B' ' 20' ' ' LEU . 7.7 mt -68.7 -50.13 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.63 110.914 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.52 -34.83 38.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 1.99 111.18 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.003 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HD13 ' B' ' 13' ' ' ILE . 11.9 mtpp -66.05 -31.61 72.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 1.53 111.002 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -74.49 -46.01 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 2.89 111.12 -179.798 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -55.59 31.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.119 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.47 -42.67 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.091 0.472 . . . . 2.54 110.403 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 16.9 mt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.112 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 1.94 111.052 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.08 -34.87 59.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 2.22 110.399 179.731 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.55 91.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.919 -0.582 . . . . 2.37 110.811 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.8 pt -71.84 -43.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 1.11 111.238 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.5 m-20 -50.55 -34.06 24.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.341 0.591 . . . . 1.51 109.895 179.725 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.09 -47.77 70.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.326 178.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' B' ' 17' ' ' ILE . 20.6 mt -60.27 -46.92 94.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.419 -0.809 . . . . 0.55 110.293 178.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.0 t0 -48.18 -32.65 7.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.343 -0.389 . . . . 1.32 111.083 179.598 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -29.06 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.19 110.394 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.65 -34.84 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 2.03 111.041 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.65 -34.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 1.06 110.698 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.56 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.36 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.8 -48.86 72.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 1.58 110.79 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -62.7 -51.77 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.63 110.979 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.81 -30.24 9.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.465 . . . . 1.98 111.089 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.22 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.62 110.834 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 13' ' ' ILE . 19.9 mmtt -66.96 -34.13 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 1.43 111.116 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.245 -179.711 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -54.27 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.362 . . . . 0.75 111.229 -179.622 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.0 ptt85 -51.3 -44.42 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 2.89 110.513 -179.724 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.504 HD21 ' HD3' ' A' ' 9' ' ' LYS . 2.1 mp -62.54 -35.87 80.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 1.38 110.079 179.148 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -64.28 -45.38 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.187 179.443 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.17 -30.51 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 2.33 109.978 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.27 -29.73 60.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.734 -0.666 . . . . 2.39 110.493 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 53.7 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-N 116.339 -0.391 . . . . 3.18 111.043 179.708 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.888 0.375 . . . . 2.15 110.698 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.42 -38.48 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 2.21 110.206 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -37.19 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.663 . . . . 2.42 110.672 179.798 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' ASP . 17.6 pt -70.42 -43.48 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.078 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.9 t0 -50.08 -34.39 21.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.382 0.61 . . . . 1.48 109.809 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.54 -46.79 74.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.344 -0.844 . . . . 1.41 109.368 178.76 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 mt -61.33 -46.29 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.125 178.899 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -48.39 -32.21 7.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.941 179.535 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -29.24 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.315 179.514 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.1 mm-40 -84.92 -32.14 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.576 . . . . 2.07 111.044 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -66.14 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.106 0.479 . . . . 0.94 110.673 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.01 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.711 . . . . 0.66 111.186 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -44.0 70.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 1.79 110.837 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.83 -50.62 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.63 110.83 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -34.73 34.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.022 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.52 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.902 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -66.97 -35.74 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 1.53 111.039 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -67.06 -46.71 73.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 2.89 111.101 -179.899 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -54.42 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.287 -179.616 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.7 ptm85 -50.53 -44.8 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.042 0.449 . . . . 2.54 110.375 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.925 -0.58 . . . . 1.35 109.941 178.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 2.5 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.866 0.365 . . . . 1.94 110.636 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -40.44 29.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 2.22 110.175 179.464 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.75 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.734 179.725 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.3 pt -70.99 -43.58 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 1.11 111.07 179.768 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.421 ' N ' HG13 ' B' ' 10' ' ' ILE . 77.7 m-20 -50.52 -34.57 25.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.398 0.618 . . . . 1.51 109.805 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.23 -45.8 79.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.261 -0.881 . . . . 1.44 109.163 178.691 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.673 HG22 HD11 ' B' ' 17' ' ' ILE . 35.5 mt -61.13 -46.32 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.401 -0.818 . . . . 0.55 110.099 178.851 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.4 t0 -48.32 -32.24 7.14 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.32 110.955 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.67 -28.74 56.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.488 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -84.74 -32.32 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 2.03 110.92 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -65.81 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 1.06 110.626 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.78 47.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.632 -0.713 . . . . 0.58 111.454 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.86 -45.18 70.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 1.58 110.882 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 4.5 mt -66.67 -51.27 58.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.869 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -35.41 25.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 1.98 111.157 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.55 74.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.62 110.993 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.559 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.8 mtpp -65.5 -33.13 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.006 -0.543 . . . . 1.43 111.043 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.5 mtp-105 -71.39 -44.7 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 2.28 111.185 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -55.48 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.75 111.052 -179.723 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -49.52 -42.09 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 2.89 110.336 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.425 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 12.0 mt -64.51 -39.25 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.922 -0.581 . . . . 1.38 109.976 179.118 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.0 t -61.69 -42.48 94.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.79 110.226 179.311 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -35.0 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.877 -0.601 . . . . 2.33 109.655 179.168 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -67.9 -31.43 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.671 -0.695 . . . . 2.39 110.298 179.04 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 26.5 p-80 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 116.304 -0.407 . . . . 3.18 111.058 179.437 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 2.15 111.03 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -78.07 -36.34 48.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 2.21 110.69 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -40.16 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.772 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 27' ' ' LEU . 17.5 pt -69.9 -42.84 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.301 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -50.06 -34.03 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.307 0.575 . . . . 1.48 110.039 179.768 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -47.22 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.276 178.917 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' B' ' 23' ' ' LYS . 29.1 mt -60.54 -46.8 94.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 0.48 110.238 178.899 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.54 -33.04 8.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.338 -0.392 . . . . 1.29 111.006 179.588 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.7 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 1.11 110.341 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.13 -35.04 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.605 . . . . 2.07 111.058 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -63.91 -32.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.94 110.802 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.84 -37.85 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.66 111.182 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.77 -43.35 69.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 1.79 110.893 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 11.7 mt -70.34 -53.32 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.899 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.54 40.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.228 -179.775 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.77 64.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.65 111.096 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -74.24 -32.38 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.12 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.595 ' HB2' HD11 ' B' ' 17' ' ' ILE . 3.1 ttt-85 -72.5 -41.29 66.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.135 -179.725 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -55.74 16.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.392 . . . . 0.81 111.38 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -48.87 -42.83 37.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.076 0.465 . . . . 2.54 110.415 -179.818 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 HG23 ' B' ' 10' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.816 -0.629 . . . . 1.35 109.868 178.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.88 0.371 . . . . 1.94 110.796 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.9 -43.85 24.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.204 0.526 . . . . 2.22 110.27 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -35.08 74.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.828 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.437 HG23 HD23 ' A' ' 27' ' ' LEU . 20.6 pt -71.85 -43.79 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.418 -0.356 . . . . 1.11 111.135 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.9 t70 -48.86 -34.69 13.06 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.308 0.575 . . . . 1.51 109.738 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.02 -48.24 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 1.44 109.529 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' B' ' 17' ' ' ILE . 35.0 mt -60.16 -47.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 0.55 110.362 179.129 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.11 -33.4 8.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.934 0.397 . . . . 1.32 111.113 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.31 -29.05 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 1.19 110.38 179.643 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.4 mt-10 -84.5 -33.67 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 2.03 110.98 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.78 -32.92 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.758 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.12 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.401 -179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -45.69 72.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.58 110.969 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -66.52 -52.07 49.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.973 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -34.53 19.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 1.98 111.171 -179.713 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.09 71.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 0.62 110.996 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -67.0 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.43 111.121 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.922 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -74.81 -48.07 27.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.206 -179.761 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -53.33 59.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.75 111.28 -179.574 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.73 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 2.89 110.457 -179.866 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 10' ' ' ILE . 8.9 mt -62.53 -34.95 77.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 1.38 110.165 179.243 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.922 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.1 t -65.43 -45.77 92.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.79 110.298 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -51.14 -31.29 19.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.875 -0.602 . . . . 2.33 109.958 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.432 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 48.5 p-80 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.069 179.773 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 2.15 110.907 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -78.34 -42.0 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 2.21 110.413 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -61.37 -37.12 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 2.42 110.887 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.68 -43.42 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.95 111.16 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 27.5 t0 -50.12 -34.49 22.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.937 179.682 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.59 -47.72 71.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.409 -0.814 . . . . 1.41 109.335 178.915 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 17' ' ' ILE . 22.2 mt -60.63 -46.84 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.4 -0.818 . . . . 0.48 110.253 178.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.902 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.18 -32.28 6.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.307 -0.406 . . . . 1.29 111.074 179.559 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -29.27 58.01 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.152 -0.476 . . . . 1.11 110.429 179.541 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.41 -34.07 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.077 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -64.66 -34.58 70.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.797 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.45 -37.52 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.399 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 1.79 110.815 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -66.53 -50.68 62.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.63 111.001 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.92 -36.11 26.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 1.99 111.179 -179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.49 79.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.936 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.795 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -63.43 -34.76 78.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 1.53 111.008 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.711 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -71.67 -46.63 58.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 2.89 111.206 -179.649 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -55.54 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.315 -179.521 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.794 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.19 -44.43 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 2.54 110.425 -179.774 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.794 HD12 ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 1.35 109.957 179.085 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 10' ' ' ILE . 11.5 tt0 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.905 0.383 . . . . 1.94 110.849 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -79.0 -43.24 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 2.22 110.246 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -37.08 79.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.681 -0.69 . . . . 2.37 110.791 179.701 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.481 HG23 HD22 ' A' ' 27' ' ' LEU . 18.0 pt -69.88 -43.41 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.294 -0.412 . . . . 1.11 111.183 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.9 t70 -48.87 -35.07 13.91 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.394 0.616 . . . . 1.51 109.791 179.59 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.48 -47.93 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.366 -0.834 . . . . 1.44 109.437 178.809 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.4 mt -60.1 -46.5 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.55 110.306 178.914 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.59 -32.2 7.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.261 -0.427 . . . . 1.32 110.944 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.73 -28.86 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 1.19 110.358 179.437 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.3 mt-10 -85.08 -34.09 22.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 2.03 111.08 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -64.81 -33.87 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 1.06 110.678 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -36.06 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.781 -0.645 . . . . 0.58 111.198 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.21 -46.1 72.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 1.58 110.756 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.04 -49.76 64.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.726 179.755 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.71 -34.25 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.011 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.58 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.62 110.997 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.549 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.2 mttp -65.83 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.43 110.901 179.881 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.916 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -71.27 -44.72 64.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 2.28 111.057 -179.893 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.81 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.022 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.8 ptp180 -49.93 -42.63 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 2.89 110.239 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 23' ' ' LYS . 7.5 mt -63.44 -38.81 92.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.827 -0.624 . . . . 1.38 109.976 179.081 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.916 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -63.33 -45.54 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.79 110.159 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -51.83 -28.99 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 2.33 109.892 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.76 61.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.68 . . . . 2.39 110.399 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 31.8 p-80 . . . . . 0 CA--C 1.529 0.163 0 CA-C-N 116.286 -0.416 . . . . 3.18 111.002 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.849 0.357 . . . . 2.15 111.085 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -80.56 -39.18 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 2.21 110.231 179.512 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.98 -35.53 77.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 2.42 110.709 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.589 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 25.8 pt -70.89 -44.18 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.95 111.223 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -49.84 -33.8 17.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.418 0.627 . . . . 1.48 109.868 179.541 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.24 -44.97 74.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.858 . . . . 1.41 109.481 178.828 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 17' ' ' ILE . 21.5 mt -61.96 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.414 179.086 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 10.0 t70 -48.03 -32.27 6.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.381 -0.372 . . . . 1.29 111.107 179.663 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.44 -28.39 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.11 110.253 179.474 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm-40 -85.19 -36.71 20.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 2.07 110.937 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.9 mt -60.79 -34.96 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.194 0.521 . . . . 0.94 110.528 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.4 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.66 111.217 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.44 73.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.79 110.808 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' B' ' 20' ' ' LEU . 8.4 mt -67.11 -50.9 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.63 110.863 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -50.53 -31.25 15.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 1.99 110.969 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.67 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.786 179.743 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -68.96 -35.75 77.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 1.53 110.856 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.618 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -69.12 -43.17 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 2.89 110.976 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -54.55 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.81 111.31 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -49.13 -43.91 42.02 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.011 0.434 . . . . 2.54 110.473 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.624 . . . . 1.35 109.896 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.404 ' O ' HG13 ' B' ' 10' ' ' ILE . 5.1 tt0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.907 0.384 . . . . 1.94 110.688 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -79.06 -43.39 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 2.22 110.125 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.32 -36.36 77.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.715 . . . . 2.37 110.808 179.682 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 pt -70.9 -43.61 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.359 -0.382 . . . . 1.11 111.068 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.35 -34.7 11.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.313 0.578 . . . . 1.51 109.817 179.574 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 3.0 m-20 -67.7 -47.35 69.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.274 -0.875 . . . . 1.44 109.619 178.816 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 17' ' ' ILE . 32.6 mt -60.83 -48.07 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.55 110.343 179.124 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.61 -32.33 8.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 1.32 110.962 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -28.7 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 1.19 110.324 179.567 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.0 mm-40 -84.25 -34.49 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.826 -0.624 . . . . 2.03 110.836 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 13.7 mt -63.23 -35.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.619 179.765 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.76 -34.93 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.635 -0.712 . . . . 0.58 111.159 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -44.61 73.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.58 110.936 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' A' ' 20' ' ' LEU . 8.2 mt -68.2 -50.73 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.852 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.3 16.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 1.98 111.163 -179.869 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.7 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.62 111.001 179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.931 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.8 tpt85 -64.8 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 2.28 111.125 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -59.11 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.75 111.451 -179.721 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 1.2 ptm180 -47.57 -33.54 6.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.924 0.392 . . . . 2.89 110.563 -179.754 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' ILE . 10.1 mt -70.04 -40.99 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 1.38 109.773 178.843 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.6 t -60.83 -50.69 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.882 -0.599 . . . . 0.79 110.266 179.081 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.5 -30.01 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 2.33 109.877 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.04 -29.97 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.308 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 56.3 p-80 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 3.18 110.993 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.843 0.354 . . . . 2.15 111.062 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -35.77 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.987 0.422 . . . . 2.21 110.518 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.15 -41.05 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 2.42 110.816 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' B' ' 27' ' ' LEU . 17.7 pt -70.35 -42.76 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.19 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -34.37 12.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.394 0.616 . . . . 1.48 110.027 179.549 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 79.7 m-20 -67.81 -47.96 67.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.852 . . . . 1.41 109.444 178.776 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 18.6 mt -59.24 -48.14 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.537 -0.756 . . . . 0.48 110.346 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.88 -32.42 8.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.283 -0.417 . . . . 1.29 111.016 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.83 -28.33 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 1.11 110.35 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.7 mt-10 -85.52 -36.18 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.592 . . . . 2.07 111.056 -179.853 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.903 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.2 mt -63.11 -32.29 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.94 110.795 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.2 -38.32 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.66 111.237 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -43.55 68.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 1.79 110.923 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.42 -51.3 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.63 110.911 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -36.32 43.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.102 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.33 -31.73 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.868 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.58 -35.26 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 1.53 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -69.26 -45.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 2.89 111.184 -179.828 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -56.61 14.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.238 -179.677 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.561 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.39 -43.48 44.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.116 0.484 . . . . 2.54 110.336 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' CD ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 1.35 110.021 179.075 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.861 0.362 . . . . 1.94 110.757 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -80.85 -41.61 22.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 2.22 110.169 179.427 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -34.81 76.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.692 179.656 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.471 HG23 HD23 ' A' ' 27' ' ' LEU . 18.6 pt -71.02 -43.84 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 1.11 111.2 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 10.3 m-20 -49.89 -35.04 22.08 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.372 0.606 . . . . 1.51 109.697 179.476 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -45.69 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.203 -0.908 . . . . 1.44 109.129 178.679 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 23' ' ' LYS . 27.0 mt -61.31 -46.47 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 0.55 110.141 178.929 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.909 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.0 -32.49 6.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.0 179.588 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -29.5 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.19 110.37 179.582 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.9 mt-10 -84.11 -33.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 2.03 111.033 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.909 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.28 -34.82 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 1.06 110.79 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.12 48.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.644 -0.707 . . . . 0.58 111.256 -179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -48.69 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 1.58 110.781 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -62.6 -51.75 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.63 110.918 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -48.81 -30.74 6.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.029 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.83 -33.09 63.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.62 110.777 179.624 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.522 ' CB ' HD13 ' A' ' 13' ' ' ILE . 15.2 mmtp -66.42 -33.58 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.517 . . . . 1.43 111.005 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.929 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.2 mtp180 -73.13 -46.67 49.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 2.28 111.236 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -52.41 65.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.249 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -51.8 -46.35 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 2.89 110.457 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 10' ' ' ILE . 6.4 mp -63.08 -35.69 81.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 1.38 110.188 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.1 t -62.6 -46.56 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.961 0.41 . . . . 0.79 110.234 179.451 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -51.95 -31.58 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.85 179.14 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -30.11 64.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.485 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 35.9 p-80 . . . . . 0 CA--C 1.529 0.158 0 CA-C-N 116.317 -0.401 . . . . 3.18 111.125 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.906 0.384 . . . . 2.15 111.19 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.1 -31.72 56.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 2.21 110.594 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -40.41 93.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.555 . . . . 2.42 110.797 179.833 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 17.4 pt -70.16 -43.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.95 111.252 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.31 -34.44 15.6 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.412 0.625 . . . . 1.48 110.041 179.642 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -68.02 -46.03 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.329 -0.85 . . . . 1.41 109.387 178.853 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 12.8 mt -60.77 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.556 -0.747 . . . . 0.48 110.327 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.1 t0 -48.54 -32.13 7.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 1.29 110.992 179.615 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -28.46 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.11 110.358 179.619 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 7.4 mm-40 -85.54 -35.42 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 2.07 111.002 -179.714 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -63.28 -33.98 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.94 110.628 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.82 34.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.66 111.195 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -45.14 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 1.79 110.845 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 9.3 mt -67.16 -51.18 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.63 110.807 179.843 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -49.7 -34.8 19.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.99 111.067 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.09 64.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.65 110.836 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' B' ' 13' ' ' ILE . 6.3 mttm -68.61 -31.2 70.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 1.53 111.007 179.904 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.722 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -72.63 -41.96 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 2.89 111.107 -179.83 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -56.6 11.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.453 -179.593 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.12 -40.63 33.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.926 0.393 . . . . 2.54 110.467 -179.698 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD22 HG23 ' B' ' 10' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 1.35 109.681 178.703 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.859 0.361 . . . . 1.94 111.025 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.29 -37.37 37.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 2.22 110.3 179.435 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -62.46 -37.52 86.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.635 . . . . 2.37 110.647 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 27' ' ' LEU . 17.3 pt -70.94 -43.35 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.11 111.113 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -34.69 19.69 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.45 0.643 . . . . 1.51 109.804 179.51 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.83 -45.71 77.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.271 -0.877 . . . . 1.44 109.198 178.72 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 21.9 mt -60.71 -47.45 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.478 -0.783 . . . . 0.55 110.2 178.903 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.5 t0 -48.57 -31.72 6.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.246 -0.434 . . . . 1.32 110.986 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -28.86 56.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.19 110.346 179.562 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.7 mt-10 -84.77 -34.19 22.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 2.03 111.017 -179.844 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.41 -35.3 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 1.06 110.703 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.58 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.58 111.234 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.8 -48.41 72.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.58 110.728 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 8.9 mt -62.95 -51.44 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.63 110.844 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.67 -31.46 6.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 1.98 110.959 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.99 64.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.62 110.791 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' B' ' 27' ' ' LEU . 32.4 mmtt -66.61 -32.69 74.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 1.43 111.12 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.1 mtp180 -72.33 -46.88 53.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 2.28 111.21 -179.857 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.75 111.115 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -51.94 -44.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 2.89 110.551 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -63.52 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.38 110.299 179.297 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.7 t -65.11 -46.6 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.207 179.282 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -30.21 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 2.33 109.933 179.101 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.53 -30.58 63.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.354 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 55.9 p-80 . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.22 -0.446 . . . . 3.18 111.002 179.729 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.793 0.33 . . . . 2.15 111.015 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -77.37 -40.34 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.488 . . . . 2.21 110.175 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -61.05 -39.81 91.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.644 . . . . 2.42 110.706 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.522 HG23 HD23 ' B' ' 27' ' ' LEU . 16.4 pt -69.8 -42.96 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.245 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -48.48 -35.61 13.38 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.424 0.63 . . . . 1.48 109.774 179.612 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 10.4 t0 -67.23 -45.15 77.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.196 -0.911 . . . . 1.41 109.301 178.653 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.638 HG22 HD11 ' A' ' 17' ' ' ILE . 11.1 mt -60.62 -47.68 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.433 -0.803 . . . . 0.48 110.318 178.891 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.889 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.4 t0 -47.73 -34.03 7.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.264 -0.425 . . . . 1.29 111.155 179.729 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -74.74 -28.74 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 1.11 110.439 179.723 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.0 mt-10 -85.86 -34.46 21.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.614 . . . . 2.07 111.146 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -64.05 -31.87 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.94 110.659 179.88 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.41 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.66 111.304 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.5 -43.36 68.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 1.79 111.005 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.58 -52.43 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.63 111.068 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -52.07 -33.84 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 1.99 111.225 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.27 -32.4 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.131 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.2 mtpp -70.95 -32.41 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.53 111.113 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.34 -47.09 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 2.89 111.19 -179.837 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -54.66 43.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.81 111.089 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.6 ptp180 -50.37 -43.74 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 2.54 110.32 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 HD12 ' B' ' 13' ' ' ILE . 22.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.837 -0.62 . . . . 1.35 110.057 179.069 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.903 0.382 . . . . 1.94 110.719 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -39.58 41.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 2.22 110.183 179.482 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.11 -37.76 88.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 2.37 110.643 179.592 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.443 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -71.32 -42.94 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.11 111.195 179.835 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.443 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -50.76 -34.1 25.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.378 0.608 . . . . 1.51 109.913 179.672 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.6 -46.43 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.321 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.698 HG22 HD11 ' B' ' 17' ' ' ILE . 20.7 mt -60.83 -46.9 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.469 -0.787 . . . . 0.55 110.214 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 12.5 t0 -48.44 -33.46 9.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 1.32 111.097 179.626 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -28.41 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 1.19 110.445 179.54 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -85.45 -34.01 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 2.03 111.04 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.07 -33.84 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.606 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.11 34.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.638 . . . . 0.58 111.219 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -39.74 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 1.58 111.214 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 20' ' ' LEU . 13.3 mt -72.12 -55.83 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.181 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -49.41 -47.36 48.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 1.98 111.195 -179.768 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.25 76.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.993 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -68.09 -35.18 77.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 1.43 110.974 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' B' ' 28' ' ' VAL . 15.9 ttt180 -74.98 -42.27 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 2.28 111.286 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -55.77 26.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.75 110.974 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.57 -42.31 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 2.89 110.341 179.942 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.522 HD23 HG23 ' A' ' 10' ' ' ILE . 3.4 mp -62.42 -37.75 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 1.38 109.878 178.842 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.1 t -64.3 -46.17 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.276 179.238 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -28.14 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 2.33 110.017 179.011 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -76.32 -31.3 58.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.673 -0.694 . . . . 2.39 110.489 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 37.9 p-80 . . . . . 0 CA--C 1.53 0.184 0 CA-C-N 116.344 -0.389 . . . . 3.18 111.017 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.832 0.348 . . . . 2.15 110.986 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.05 -37.44 46.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.006 0.431 . . . . 2.21 110.551 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -58.95 -41.01 86.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.892 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -68.14 -43.01 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.95 111.168 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.3 t0 -48.92 -34.54 13.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.433 0.635 . . . . 1.48 110.041 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.92 -48.59 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.381 -0.827 . . . . 1.41 109.412 178.922 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' B' ' 23' ' ' LYS . 22.9 mt -60.05 -46.72 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.48 110.157 178.954 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.5 -32.17 7.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.414 . . . . 1.29 110.95 179.656 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -29.3 59.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.358 179.535 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.0 mt-10 -85.0 -33.21 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 2.07 111.038 -179.9 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.3 mt -65.6 -33.32 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.075 0.464 . . . . 0.94 110.716 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.87 -36.95 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.772 -0.649 . . . . 0.66 111.222 -179.834 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.939 0.399 . . . . 1.79 110.797 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' B' ' 20' ' ' LEU . 6.7 mt -69.3 -49.03 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.68 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -52.23 -36.12 51.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.99 111.006 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.34 91.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.65 110.984 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -65.18 -32.7 74.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.53 110.907 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -72.13 -41.06 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 2.89 110.94 -179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -56.81 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.284 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -37.15 20.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.987 0.423 . . . . 2.54 110.512 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD12 ' B' ' 13' ' ' ILE . 13.7 mt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.35 109.682 178.718 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.73 0.3 . . . . 1.94 111.108 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.22 -38.83 50.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.089 0.471 . . . . 2.22 110.418 179.647 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.45 -41.53 89.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.808 -0.633 . . . . 2.37 110.758 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' B' ' 7' ' ' GLU . 16.9 pt -68.31 -43.25 84.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 1.11 111.138 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -47.82 -34.79 9.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.387 0.613 . . . . 1.51 110.063 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.78 -49.34 66.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.394 -0.821 . . . . 1.44 109.562 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.777 HG22 HD11 ' B' ' 17' ' ' ILE . 39.4 mt -59.69 -46.99 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.527 -0.76 . . . . 0.55 110.252 178.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.25 -32.35 7.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 1.32 111.06 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.03 -29.07 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 1.19 110.347 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.2 mt-10 -84.85 -33.34 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.976 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -65.73 -33.34 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 1.06 110.738 179.868 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.43 -36.67 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.648 . . . . 0.58 111.301 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -46.03 69.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.943 0.401 . . . . 1.58 110.744 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.38 -49.06 65.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.781 179.677 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -50.52 -36.08 32.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 1.98 110.975 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.0 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.764 179.704 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.777 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -63.08 -33.92 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.43 110.895 179.867 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.933 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.98 -45.87 55.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 2.28 110.939 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -52.46 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.75 111.209 -179.745 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.1 ptm180 -51.76 -44.65 63.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.014 0.435 . . . . 2.89 110.525 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.43 -35.15 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.935 -0.575 . . . . 1.38 110.125 179.298 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.7 t -64.67 -43.74 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.264 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -52.74 -33.88 50.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.742 179.102 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -30.53 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.621 -0.718 . . . . 2.39 110.324 179.18 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 51.9 p-80 . . . . . 0 C--N 1.333 -0.118 0 CA-C-N 116.257 -0.428 . . . . 3.18 110.939 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 CA--C 1.526 0.029 0 CA-C-O 120.889 0.376 . . . . 2.15 110.911 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.147 0.499 . . . . 2.21 110.004 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -61.16 -36.24 79.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.609 -0.723 . . . . 2.42 110.701 179.591 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.624 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 26.1 pt -68.98 -44.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.065 179.783 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.0 t70 -49.61 -34.03 16.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.422 0.629 . . . . 1.48 109.714 179.477 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 1.41 109.51 178.756 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.738 HD13 ' HB3' ' B' ' 23' ' ' LYS . 23.1 mt -60.22 -50.1 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 0.48 110.487 179.108 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.893 ' HA ' HD12 ' A' ' 17' ' ' ILE . 7.6 t0 -48.79 -31.56 7.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 1.29 111.1 179.71 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.36 -27.88 59.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.459 . . . . 1.11 110.269 179.47 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 11.9 mt-10 -85.29 -37.63 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 2.07 110.821 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.893 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.5 mt -60.72 -33.13 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.94 110.508 179.703 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.3 -36.68 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.674 -0.693 . . . . 0.66 111.355 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -46.15 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 1.79 110.862 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' B' ' 20' ' ' LEU . 8.5 mt -67.29 -51.09 57.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.883 179.751 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -33.67 24.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 1.99 111.05 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.88 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.65 110.83 179.783 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' B' ' 13' ' ' ILE . 5.4 mttm -69.07 -32.33 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 1.53 111.034 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -71.73 -45.9 60.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 2.89 111.006 -179.845 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -53.86 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.307 -179.601 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -51.07 -46.33 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 2.54 110.398 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.91 179.094 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.948 0.404 . . . . 1.94 110.707 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -77.4 -39.69 46.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.265 179.477 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.728 179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 20.2 pt -71.42 -43.92 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.11 111.259 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.3 t70 -49.49 -34.93 18.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.432 0.634 . . . . 1.51 109.765 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.25 77.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.343 -0.844 . . . . 1.44 109.252 178.708 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.691 HG22 HD11 ' B' ' 17' ' ' ILE . 24.3 mt -60.99 -47.11 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.185 178.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.6 t0 -48.0 -31.91 5.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.299 -0.409 . . . . 1.32 111.006 179.645 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -76.48 -29.62 56.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 1.19 110.375 179.579 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.6 mt-10 -83.99 -33.74 24.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 2.03 111.024 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.47 -35.5 74.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 1.06 110.646 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.59 -35.64 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.724 -0.671 . . . . 0.58 111.206 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.52 -46.11 73.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.264 -0.425 . . . . 1.58 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -65.68 -50.98 62.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.63 110.834 179.872 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.64 -30.6 9.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 1.98 111.06 -179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.62 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.62 110.919 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.738 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.1 mptp? -64.64 -35.67 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.43 110.895 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 2.0 tpt85 -64.03 -49.31 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.989 -0.55 . . . . 2.28 111.191 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -56.17 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.417 -0.356 . . . . 0.75 111.359 -179.669 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 4.7 ptm85 -48.21 -41.25 26.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.076 0.465 . . . . 2.89 110.549 -179.813 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mm? -64.34 -39.3 93.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 1.38 109.914 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.7 t -62.46 -42.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.79 110.301 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.24 -34.26 56.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 2.33 109.912 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.5 -31.48 70.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.703 -0.681 . . . . 2.39 110.117 179.189 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 31.7 p-80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 116.288 -0.414 . . . . 3.18 111.004 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.839 0.352 . . . . 2.15 110.813 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -40.59 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 2.21 110.373 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.71 -37.24 85.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.791 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.7 pt -70.95 -43.66 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.199 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 18.5 t70 -50.33 -34.38 23.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.352 0.596 . . . . 1.48 109.908 179.639 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.87 -46.36 75.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.336 -0.847 . . . . 1.41 109.29 178.831 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 38.0 mt -60.93 -47.0 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.231 178.89 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 17' ' ' ILE . 9.1 t0 -48.74 -31.82 7.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.914 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -28.71 57.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 1.11 110.319 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.4 mt-10 -84.93 -34.45 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.969 -0.559 . . . . 2.07 111.046 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -64.81 -33.13 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.716 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -37.04 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.776 -0.647 . . . . 0.66 111.216 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.75 -44.76 70.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.401 . . . . 1.79 110.864 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -68.31 -50.31 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.63 110.776 179.812 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.54 -30.58 31.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.035 -179.822 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.47 -33.06 62.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.65 110.818 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' HD13 ' B' ' 13' ' ' ILE . 73.9 mttt -68.57 -31.17 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 1.53 111.0 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.72 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -73.98 -46.88 41.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 2.89 111.072 -179.878 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -54.13 48.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.81 111.309 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.717 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.84 -45.17 59.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.232 -0.44 . . . . 2.54 110.407 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' A' ' 26' ' ' ARG . 1.9 mp . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 1.35 109.932 179.059 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.739 0.304 . . . . 1.94 111.133 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -77.0 -38.14 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.939 0.4 . . . . 2.22 110.493 179.855 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -60.07 -40.14 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 2.37 110.836 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -69.63 -43.04 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.11 111.288 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.07 -34.76 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.367 0.603 . . . . 1.51 109.951 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.828 . . . . 1.44 109.377 178.731 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' B' ' 17' ' ' ILE . 22.4 mt -60.42 -46.85 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.377 -0.829 . . . . 0.55 110.224 178.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.09 -32.95 7.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.354 -0.385 . . . . 1.32 111.035 179.583 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -29.16 59.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.304 179.621 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.59 -34.39 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.03 111.062 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.01 -34.18 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.122 0.487 . . . . 1.06 110.782 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.11 -36.75 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.679 . . . . 0.58 111.244 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -54.48 -46.17 73.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 1.58 110.857 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' A' ' 20' ' ' LEU . 8.4 mt -66.33 -50.94 61.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.909 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.24 -32.83 25.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 1.98 111.228 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.97 72.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.0 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.569 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.63 -34.4 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.43 111.122 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.77 -46.0 69.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 2.28 111.179 -179.822 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -54.65 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.75 111.267 -179.61 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 5.0 ptm180 -50.45 -42.22 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.095 0.474 . . . . 2.89 110.538 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 10.4 mt -64.98 -36.7 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.38 110.045 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.2 t -64.95 -42.28 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.79 110.105 179.077 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -33.26 44.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.83 -0.623 . . . . 2.33 109.739 179.07 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -32.82 69.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.665 -0.698 . . . . 2.39 110.305 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 20.7 p-80 . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.399 . . . . 3.18 111.003 179.459 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.347 . . . . 2.15 110.892 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -78.36 -34.79 48.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 2.21 110.516 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -60.48 -38.96 85.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 2.42 110.78 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.0 pt -70.77 -43.16 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.322 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.0 t70 -49.8 -34.03 18.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.371 0.605 . . . . 1.48 110.065 179.771 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.6 t70 -68.46 -47.2 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.384 -0.825 . . . . 1.41 109.414 178.967 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.736 HG22 HD11 ' A' ' 17' ' ' ILE . 18.8 mt -60.3 -48.68 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.548 -0.751 . . . . 0.48 110.466 179.12 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.8 t0 -48.54 -33.03 8.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.135 179.728 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -28.02 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.386 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HB2' HD13 ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.76 -37.96 18.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 2.07 111.021 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -61.12 -32.48 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.94 110.781 -179.959 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.62 -40.14 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.66 111.12 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -54.94 -44.45 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.79 110.924 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.3 mt -66.07 -52.67 46.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.63 111.092 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -38.55 28.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.99 111.351 -179.688 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.83 87.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.455 . . . . 0.65 110.92 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -58.61 -34.47 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 1.53 111.056 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.596 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.35 -43.2 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 2.89 111.085 -179.795 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -56.38 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.81 111.282 -179.758 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.42 -41.44 39.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.105 0.479 . . . . 2.54 110.58 -179.788 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.35 109.981 179.078 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.771 0.32 . . . . 1.94 111.015 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -77.56 -41.11 40.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 2.22 110.267 179.558 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.65 -35.71 76.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 2.37 110.832 179.793 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.66 HG23 HD23 ' A' ' 27' ' ' LEU . 17.9 pt -73.46 -43.66 55.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.333 . . . . 1.11 111.359 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -47.99 -35.17 10.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.342 0.591 . . . . 1.51 109.884 179.64 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 23.4 t0 -68.15 -49.1 63.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.69 178.941 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.816 HG22 HD11 ' B' ' 17' ' ' ILE . 37.3 mt -59.4 -48.94 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 0.55 110.594 179.215 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.892 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -47.9 -33.93 8.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.328 -0.396 . . . . 1.32 111.131 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -28.27 61.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.362 179.723 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' HB2' HD13 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.95 -35.18 20.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.994 -179.71 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -63.66 -31.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 1.06 110.856 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.82 -44.73 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.58 111.351 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.38 -39.09 56.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 1.58 110.944 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.539 ' N ' HD23 ' B' ' 20' ' ' LEU . 2.3 mt -69.62 -55.05 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.091 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -32.18 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.98 111.268 -179.676 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.52 -33.46 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.103 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.674 ' O ' HD12 ' B' ' 27' ' ' LEU . 40.1 mttt -69.34 -31.03 69.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 1.43 111.141 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.914 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.99 -46.86 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 2.28 111.216 -179.855 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.75 111.185 -179.712 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -50.74 -43.56 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 2.89 110.536 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.674 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.5 mt -64.87 -35.61 81.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 1.38 110.23 179.35 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.914 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.2 t -65.68 -44.61 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.79 110.345 179.452 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -33.88 40.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.531 . . . . 2.33 109.891 179.15 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.45 -31.75 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.667 -0.697 . . . . 2.39 110.324 179.183 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 54.3 p-80 . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.24 -0.436 . . . . 3.18 111.007 179.542 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 2.15 110.961 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -75.15 -34.08 61.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 2.21 110.425 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -62.51 -41.11 98.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 2.42 110.761 179.802 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.9 pt -70.29 -42.93 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.95 111.253 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.81 -34.2 18.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.433 0.635 . . . . 1.48 109.979 179.67 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.2 m-20 -68.77 -44.58 73.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 1.41 109.425 178.845 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 17' ' ' ILE . 26.9 mt -61.15 -48.14 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.412 -0.813 . . . . 0.48 110.298 178.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.5 t0 -48.87 -33.93 11.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.356 -0.384 . . . . 1.29 111.097 179.678 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -26.96 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 1.11 110.467 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.3 mm-40 -86.94 -36.01 18.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.021 -179.764 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -62.1 -32.22 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.94 110.673 179.775 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.55 -39.87 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.639 -0.71 . . . . 0.66 111.073 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.45 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.798 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 20' ' ' LEU . 2.5 mt -75.3 -56.45 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.63 110.804 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CD ' HG21 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -52.65 -43.86 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 1.99 110.994 -179.843 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.05 70.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.845 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.87 -35.45 64.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 1.53 110.808 179.886 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.584 ' HB2' HD11 ' B' ' 17' ' ' ILE . 18.9 ttt180 -71.08 -41.17 71.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 2.89 111.176 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -56.09 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.81 111.06 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.6 ptp180 -49.78 -37.84 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 2.54 110.457 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 23' ' ' LYS . 4.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.509 . . . . 1.35 109.75 178.891 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 1.94 110.816 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -77.74 -39.22 45.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.126 0.488 . . . . 2.22 110.206 179.471 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -60.82 -40.24 92.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.718 179.647 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.439 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.9 pt -69.41 -42.59 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 1.11 111.217 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' B' ' 10' ' ' ILE . 13.3 t70 -48.84 -35.25 14.15 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.554 0.692 . . . . 1.51 109.8 179.581 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -67.93 -43.82 78.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.175 -0.921 . . . . 1.44 109.266 178.634 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' B' ' 17' ' ' ILE . 12.3 mt -61.43 -48.81 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.464 -0.789 . . . . 0.55 110.335 179.053 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.1 t0 -47.65 -34.41 8.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.437 -0.347 . . . . 1.32 111.187 179.763 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -28.23 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.438 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 20' ' ' LEU . 4.6 mm-40 -85.71 -38.16 18.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 2.03 111.046 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -59.35 -33.26 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.625 179.896 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.03 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.278 -179.848 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.24 -41.87 69.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 1.58 111.083 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 9.3 mt -67.69 -53.44 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.63 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -33.7 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.98 111.312 -179.661 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.36 -29.75 62.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.62 111.062 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.47 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -71.99 -33.01 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 1.43 111.118 -179.864 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.897 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.19 -44.68 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.255 -179.793 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.75 111.312 -179.498 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.45 -40.85 38.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 2.89 110.579 -179.705 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.8 mt -65.98 -38.46 88.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.946 -0.57 . . . . 1.38 110.099 179.109 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.7 t -62.09 -47.23 94.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.429 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -32.49 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.836 179.169 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 2.39 110.36 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 49.0 p-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-N 116.259 -0.428 . . . . 3.18 110.989 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 2.15 110.801 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -81.6 -40.71 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 2.21 110.145 179.465 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -62.06 -33.9 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.686 . . . . 2.42 110.681 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.4 pt -72.02 -43.45 67.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.95 111.206 179.834 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -50.74 -34.51 27.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.384 0.611 . . . . 1.48 109.696 179.67 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -47.06 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.361 178.876 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.679 HG22 HD11 ' A' ' 17' ' ' ILE . 25.4 mt -60.86 -46.46 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.587 -0.733 . . . . 0.48 110.304 178.964 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.05 -33.11 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 1.29 111.034 179.662 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -29.02 58.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 1.11 110.434 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.3 mt-10 -84.23 -33.34 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 2.07 110.969 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.77 -34.65 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.94 110.682 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.36 -36.34 46.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.39 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.36 -48.81 73.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.802 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' B' ' 20' ' ' LEU . 6.6 mt -62.71 -52.19 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.63 111.011 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.63 -30.34 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.179 -179.785 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.65 110.975 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB2' HD13 ' B' ' 13' ' ' ILE . 17.7 mmtt -67.04 -33.47 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.175 -179.877 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.709 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -71.63 -47.07 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 2.89 111.33 -179.742 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -53.12 61.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.81 111.285 -179.619 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -51.02 -44.36 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 2.54 110.667 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HG23 ' B' ' 10' ' ' ILE . 6.8 mp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 1.35 110.32 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.896 0.379 . . . . 1.94 110.798 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.98 -33.95 44.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 2.22 110.367 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -61.06 -38.69 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 2.37 110.781 179.753 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.497 HG23 HD23 ' A' ' 27' ' ' LEU . 16.3 pt -70.58 -43.09 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 1.11 111.102 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.42 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.11 -34.67 14.45 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.345 0.593 . . . . 1.51 109.965 179.568 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.47 -47.46 70.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.329 178.892 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.732 HG22 HD11 ' B' ' 17' ' ' ILE . 19.7 mt -59.84 -47.86 89.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 0.55 110.307 178.932 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 6.1 t0 -48.6 -32.14 7.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.272 -0.422 . . . . 1.32 110.974 179.647 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -28.71 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.19 110.337 179.493 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 14.6 mt-10 -85.4 -35.45 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 2.03 111.044 -179.825 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.3 mt -63.71 -32.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 1.06 110.838 179.895 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.81 28.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.58 111.156 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.64 -43.48 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 1.58 110.877 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' A' ' 20' ' ' LEU . 11.1 mt -70.1 -51.54 30.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.63 110.933 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -53.13 -34.16 55.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 1.98 111.109 -179.837 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.27 63.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.62 111.096 179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 7.0 mtpt -71.73 -33.78 69.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.43 111.062 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.98 -46.17 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.403 . . . . 2.28 111.139 -179.859 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -55.26 31.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.75 111.212 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -49.84 -44.01 49.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.102 0.477 . . . . 2.89 110.468 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 4.3 mp -62.37 -37.75 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 1.38 110.027 179.151 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.3 t -62.64 -47.42 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.79 110.287 179.262 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -50.83 -29.69 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.71 179.151 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -34.4 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.564 -0.744 . . . . 2.39 110.358 179.156 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' B' ' 28' ' ' VAL . 24.4 p-80 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 3.18 111.067 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.054 0.454 . . . . 2.15 110.463 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -40.64 39.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 2.21 110.095 179.264 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -39.52 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.806 -0.633 . . . . 2.42 110.696 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.6 pt -69.62 -43.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.159 179.877 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.4 -34.19 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.315 0.578 . . . . 1.48 109.944 179.659 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.42 -47.81 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.347 -0.842 . . . . 1.41 109.339 178.87 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 17' ' ' ILE . 22.6 mt -59.84 -47.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.48 110.146 178.969 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.68 -32.38 8.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 1.29 110.98 179.634 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -75.37 -28.8 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 1.11 110.314 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.8 mt-10 -84.99 -34.11 22.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.032 -179.874 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -64.83 -32.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.94 110.735 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.74 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.763 -0.653 . . . . 0.66 111.184 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.15 -45.72 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 1.79 110.765 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' B' ' 20' ' ' LEU . 6.0 mt -67.53 -50.27 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.63 110.783 179.754 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -33.37 33.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 1.99 111.116 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.25 72.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.65 110.919 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -66.14 -33.82 76.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 1.53 110.991 179.894 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.706 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -71.76 -44.73 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 2.89 111.116 -179.963 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -56.18 24.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.81 111.016 -179.767 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -40.91 55.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.159 0.504 . . . . 2.54 110.407 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HD12 ' B' ' 13' ' ' ILE . 25.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 1.35 109.907 178.995 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.815 0.341 . . . . 1.94 110.8 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -41.64 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 2.22 110.374 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.44 -36.58 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.69 -0.686 . . . . 2.37 110.755 179.804 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.43 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.5 pt -71.62 -43.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 1.11 111.226 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.43 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -50.4 -34.42 24.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.336 0.588 . . . . 1.51 109.906 179.655 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -47.95 71.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.41 -0.814 . . . . 1.44 109.481 178.816 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.717 HG22 HD11 ' B' ' 17' ' ' ILE . 22.8 mt -60.43 -46.87 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.55 110.282 178.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.8 t0 -48.33 -32.45 7.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.292 -0.413 . . . . 1.32 111.056 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -29.27 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.19 110.373 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.4 mt-10 -84.41 -33.86 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 2.03 111.027 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.86 -34.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.693 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.49 -37.63 42.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.366 -179.652 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -53.5 -44.5 69.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 1.58 110.998 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -67.85 -50.49 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.63 111.037 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -50.98 -36.33 38.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.278 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.41 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.62 110.947 179.856 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.604 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.2 mtpt -67.53 -33.91 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 1.43 111.129 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.16 -46.35 64.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.28 111.194 -179.8 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.47 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.224 -179.638 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -49.55 -43.11 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 2.89 110.477 -179.85 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.2 mm? -64.69 -38.28 90.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 1.38 110.169 179.258 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.3 t -62.13 -46.16 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.79 110.395 179.465 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.93 -33.06 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 2.33 109.943 179.274 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.13 -30.3 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.696 -0.684 . . . . 2.39 110.318 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 49.2 p-80 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.923 0.392 . . . . 3.18 110.975 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.897 0.379 . . . . 2.15 110.957 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -79.87 -36.54 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 2.21 110.339 179.602 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -61.7 -36.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.881 -0.6 . . . . 2.42 110.782 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -70.97 -43.13 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.076 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 5.4 t0 -50.27 -34.43 23.32 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.35 0.595 . . . . 1.48 109.789 179.54 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -46.24 76.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.313 -0.858 . . . . 1.41 109.271 178.694 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.642 HG22 HD11 ' A' ' 17' ' ' ILE . 26.4 mt -61.0 -46.31 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.485 -0.78 . . . . 0.48 110.129 178.888 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.38 -32.7 7.92 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.985 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.54 59.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 1.11 110.399 179.523 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.9 mt-10 -83.93 -33.83 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 2.07 110.883 -179.772 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.54 -34.17 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.94 110.737 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.34 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.775 -0.648 . . . . 0.66 111.284 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.78 -44.51 73.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 1.79 110.923 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 9.0 mt -67.88 -52.28 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.63 111.068 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.79 -30.87 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 1.99 111.095 -179.854 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.44 -31.63 60.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.65 110.909 179.875 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.85 -36.32 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 1.53 111.08 179.982 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.684 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -67.27 -43.68 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.02 -179.841 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -55.17 24.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.81 111.256 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -48.47 -41.99 31.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.991 0.424 . . . . 2.54 110.537 -179.859 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD11 ' HE2' ' B' ' 9' ' ' LYS . 3.3 mm? . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 1.35 110.015 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.413 ' O ' HG13 ' B' ' 10' ' ' ILE . 1.1 tt0 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.989 0.423 . . . . 1.94 110.48 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -78.24 -42.98 29.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.927 -0.579 . . . . 2.22 109.954 179.318 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 27' ' ' LEU . 2.1 ttpp -58.36 -39.3 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.816 179.765 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.06 -42.88 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 1.11 110.985 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -47.99 -34.34 9.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.35 0.595 . . . . 1.51 109.888 179.529 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -68.04 -48.45 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.382 -0.826 . . . . 1.44 109.497 178.846 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' B' ' 17' ' ' ILE . 36.3 mt -59.61 -47.58 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.55 110.332 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.7 t0 -49.08 -32.87 10.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 1.32 111.021 179.574 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.82 -27.77 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 1.19 110.291 179.532 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mm-40 -85.61 -36.03 20.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.837 -0.619 . . . . 2.03 110.853 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -62.23 -33.07 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.06 110.652 179.86 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.15 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.58 111.118 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -54.34 -43.41 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.931 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -70.17 -50.9 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.63 110.942 179.885 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -50.56 -38.47 45.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.98 111.061 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.41 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.62 110.845 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -68.85 -33.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 1.43 110.958 179.954 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.93 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.11 -41.82 66.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 2.28 111.254 -179.82 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -56.76 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.75 111.518 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.92 35.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.033 0.444 . . . . 2.89 110.356 -179.733 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.639 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.2 OUTLIER -62.93 -39.37 94.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.899 -0.591 . . . . 1.38 109.782 178.88 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.5 t -63.28 -44.96 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.79 110.171 179.215 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -51.51 -29.05 15.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.826 -0.625 . . . . 2.33 110.012 179.186 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.35 -30.55 53.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.681 -0.691 . . . . 2.39 110.594 179.324 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 46.1 p-80 . . . . . 0 CA--C 1.529 0.172 0 CA-C-N 116.311 -0.404 . . . . 3.18 111.084 179.774 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.0 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.977 0.417 . . . . 2.15 110.745 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -77.45 -42.51 35.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.203 0.525 . . . . 2.21 110.136 179.452 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -40.39 91.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 2.42 110.634 179.691 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.8 pt -68.07 -41.37 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.95 111.08 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 72.9 m-20 -49.32 -35.37 18.11 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.505 0.669 . . . . 1.48 109.553 179.28 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 15.2 t70 -68.79 -39.71 80.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 1.41 109.017 178.446 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 17' ' ' ILE . 28.0 mt -62.16 -50.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 0.48 110.277 178.846 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.922 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -49.12 -32.2 9.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 1.29 111.074 179.739 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -27.73 60.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.5 . . . . 1.11 110.353 179.497 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 3.8 mm-40 -85.71 -36.48 20.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.951 -179.814 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -61.62 -33.81 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.602 179.76 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.48 -37.16 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.66 111.279 -179.833 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -44.3 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.79 110.938 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 8.8 mt -69.09 -50.33 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.63 110.982 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 1.99 111.167 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.14 71.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.65 110.782 179.766 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.92 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 1.53 110.951 179.946 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.756 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.63 -46.95 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 2.89 111.21 -179.713 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.38 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.108 -179.727 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.35 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 2.54 110.357 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 1.35 109.973 179.069 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.437 ' HG3' HD11 ' B' ' 10' ' ' ILE . 1.1 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.986 0.422 . . . . 1.94 110.662 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -40.18 55.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.945 -0.57 . . . . 2.22 110.236 179.396 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 2.37 110.744 179.788 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.527 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.3 pt -71.52 -43.57 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.155 179.909 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -49.54 -35.07 19.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.397 0.617 . . . . 1.51 109.815 179.504 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.56 -46.29 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.282 178.752 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 23' ' ' LYS . 32.9 mt -60.77 -44.51 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 0.55 110.109 178.809 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -48.61 -33.99 10.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.354 -0.385 . . . . 1.32 110.813 179.363 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.02 -28.44 60.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 1.19 110.437 179.607 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -85.01 -33.68 22.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 2.03 111.052 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.02 -34.24 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 1.06 110.615 179.808 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.5 39.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.58 111.063 179.913 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -54.26 -41.71 69.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.58 111.076 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 10.8 mt -71.2 -53.9 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.63 111.009 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.84 -34.3 40.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 1.98 111.234 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.66 -27.32 58.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.249 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.3 mtpp -80.65 -32.75 36.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 1.43 111.115 -179.927 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.874 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.3 OUTLIER -70.65 -34.55 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 2.28 111.145 -179.734 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -56.03 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.75 111.119 -179.853 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.509 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -48.17 -34.99 10.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.922 0.392 . . . . 2.89 110.468 -179.941 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' B' ' 26' ' ' ARG . 1.3 mp -68.99 -40.74 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 1.38 109.649 178.753 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.4 t -61.21 -46.94 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.79 110.182 179.076 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -31.06 35.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 2.33 109.73 178.985 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.39 -30.52 67.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.618 -0.719 . . . . 2.39 110.324 179.143 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' B' ' 28' ' ' VAL . 42.2 p-80 . . . . . 0 C--N 1.333 -0.131 0 CA-C-O 120.846 0.355 . . . . 3.18 111.026 179.538 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.141 0.496 . . . . 2.15 110.386 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -37.95 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.595 -0.729 . . . . 2.21 110.306 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -62.8 -30.57 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.711 -0.677 . . . . 2.42 110.942 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.685 HG23 HD23 ' B' ' 27' ' ' LEU . 22.4 pt -76.75 -46.19 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.866 -0.333 . . . . 0.95 111.41 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.3 t0 -49.23 -34.13 14.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.519 0.676 . . . . 1.48 109.961 179.622 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.08 -49.53 50.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.209 -0.905 . . . . 1.41 110.106 179.081 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.842 HG22 HD11 ' A' ' 17' ' ' ILE . 21.0 mt -59.15 -48.83 85.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.619 . . . . 0.48 110.569 179.329 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.94 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.1 t0 -47.87 -35.36 10.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 1.29 111.179 179.848 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.75 -27.61 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.11 110.516 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.2 mm-40 -86.39 -34.97 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 2.07 111.03 -179.801 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -62.87 -31.49 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.538 179.769 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.89 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.641 -0.708 . . . . 0.66 111.103 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -41.49 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 1.79 111.016 -179.872 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -71.26 -51.72 22.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.63 111.07 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.97 -35.9 26.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 1.99 111.155 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.884 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.754 ' O ' HD13 ' A' ' 27' ' ' LEU . 13.1 mttm -66.56 -34.83 78.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 1.53 110.952 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -71.16 -41.01 70.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 2.89 110.985 -179.886 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.341 -179.572 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.17 26.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.047 0.451 . . . . 2.54 110.64 -179.665 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 178.868 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 1.94 110.67 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.74 -42.85 23.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 2.22 110.121 179.468 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.509 ' HE2' HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -60.46 -36.56 78.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.67 179.64 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -70.38 -43.13 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 1.11 111.041 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -48.97 -34.42 12.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.344 0.593 . . . . 1.51 109.724 179.52 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.1 m-20 -67.42 -47.04 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.267 -0.878 . . . . 1.44 109.539 178.777 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.699 HG22 HD11 ' B' ' 17' ' ' ILE . 37.5 mt -61.0 -47.37 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 0.55 110.279 179.036 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.77 -32.29 8.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 1.32 110.975 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -75.93 -28.66 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.391 179.589 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.37 -34.22 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.784 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.48 -33.63 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 1.06 110.704 179.913 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.97 -36.93 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.258 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -54.33 -46.1 72.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 1.58 110.854 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 20' ' ' LEU . 10.4 mt -66.28 -49.39 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.63 110.801 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -50.56 -42.03 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.1 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.073 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -59.56 -43.41 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 1.43 111.001 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.909 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -67.99 -40.76 83.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 2.28 110.892 -179.947 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -61.38 -54.37 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.75 111.24 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.466 ' HG3' HD13 ' B' ' 27' ' ' LEU . 3.6 ptm85 -49.94 -37.58 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 2.89 110.772 -179.761 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.685 HD23 HG23 ' A' ' 10' ' ' ILE . 9.1 mp -78.72 -31.92 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 1.38 110.495 179.239 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.909 HG23 ' O ' ' B' ' 24' ' ' ARG . 81.6 t -68.82 -56.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.917 0.389 . . . . 0.79 110.225 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -52.6 -35.74 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 2.33 109.745 179.207 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -72.62 -26.46 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.477 -0.783 . . . . 2.39 110.041 178.739 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.754 -0.657 . . . . 3.18 111.502 179.869 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 2.15 110.783 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -41.15 37.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 2.21 110.301 179.606 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -39.31 89.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.786 -0.643 . . . . 2.42 110.753 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.8 pt -68.67 -42.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.101 179.794 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.9 -34.47 20.4 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.374 0.607 . . . . 1.48 109.956 179.588 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -66.87 -46.64 74.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 1.41 109.328 178.828 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' A' ' 17' ' ' ILE . 22.9 mt -60.82 -46.01 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 0.48 110.143 178.842 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.94 -32.3 8.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.188 -0.46 . . . . 1.29 110.906 179.496 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -28.73 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.276 179.549 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.5 -33.76 23.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 2.07 110.947 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -65.18 -33.77 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.94 110.77 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -36.45 40.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.66 111.123 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -46.11 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 1.79 110.783 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.3 mt -65.94 -49.99 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.713 179.674 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.64 -42.25 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.025 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.22 82.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.65 111.134 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.0 mtpp -60.98 -40.43 93.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 1.53 110.904 179.894 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -69.99 -41.28 74.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 2.89 110.796 179.878 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -61.27 -53.26 59.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.81 111.237 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 2.7 ptm85 -50.01 -40.35 44.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 2.54 110.669 -179.807 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.729 HD23 HG23 ' B' ' 10' ' ' ILE . 8.6 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.453 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.038 0.447 . . . . 1.94 110.833 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.89 -39.98 25.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 2.22 110.485 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.05 71.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 2.37 110.86 179.937 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 27' ' ' LEU . 19.3 pt -75.16 -45.54 41.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.892 -0.323 . . . . 1.11 111.406 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.32 -34.51 10.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.504 0.668 . . . . 1.51 110.164 179.675 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.43 -52.25 34.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.285 -0.87 . . . . 1.44 110.077 179.172 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.792 HG22 HD11 ' B' ' 17' ' ' ILE . 52.2 mt -58.2 -47.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.832 -0.622 . . . . 0.55 110.497 179.397 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -47.11 -35.3 6.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 1.32 111.164 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -29.27 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 1.19 110.394 179.673 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -85.78 -34.57 21.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.623 . . . . 2.03 111.205 -179.649 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -63.26 -31.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.074 0.464 . . . . 1.06 110.571 179.905 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.32 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.725 -0.671 . . . . 0.58 111.342 -179.745 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.15 -43.8 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.36 . . . . 1.58 110.945 -179.874 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 9.7 mt -68.53 -52.68 29.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.63 111.024 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -50.39 -32.08 16.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.207 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.55 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.62 110.919 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.596 ' O ' HD12 ' B' ' 27' ' ' LEU . 55.3 mttt -68.21 -31.74 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.43 111.101 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.23 -43.38 64.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 2.28 111.003 -179.926 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.75 111.286 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 8.4 ptm180 -49.22 -42.49 40.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.121 0.486 . . . . 2.89 110.419 -179.777 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.6 mt -64.15 -38.65 91.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.075 179.17 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.6 t -62.59 -42.38 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.79 110.219 179.255 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -33.32 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 2.33 109.797 179.055 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.27 -30.98 68.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 2.39 110.245 179.129 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 37.4 p-80 . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 116.346 -0.388 . . . . 3.18 110.924 179.52 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.876 0.369 . . . . 2.15 111.176 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.27 -35.03 61.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 2.21 110.578 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.99 -41.29 87.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.42 110.839 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.4 pt -70.81 -42.59 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.265 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -34.72 8.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.441 0.639 . . . . 1.48 110.057 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.6 -50.28 52.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.68 178.997 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' B' ' 23' ' ' LYS . 37.0 mt -58.73 -48.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.48 110.575 179.186 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.3 -33.62 9.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.321 -0.4 . . . . 1.29 111.124 179.727 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.47 -28.42 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 1.11 110.322 179.665 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.9 mt-10 -85.46 -34.64 21.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 2.07 110.962 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -63.66 -31.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.94 110.683 179.85 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.61 -39.35 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.66 111.337 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.65 -43.54 68.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 1.79 111.066 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.55 -54.28 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.096 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -51.63 -34.47 37.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.244 -0.434 . . . . 1.99 111.206 -179.67 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.46 65.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.65 111.087 179.94 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -71.69 -36.06 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 1.53 111.139 -179.902 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -68.49 -45.73 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 2.89 111.259 -179.746 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -55.48 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.81 111.197 -179.564 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.0 ptm180 -49.39 -42.58 42.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.131 0.491 . . . . 2.54 110.454 -179.9 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.753 -0.658 . . . . 1.35 110.141 179.155 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.04 0.448 . . . . 1.94 110.337 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -75.12 -47.9 26.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 2.22 110.454 179.394 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -57.63 -37.05 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.665 -0.698 . . . . 2.37 111.188 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.433 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.1 pt -71.12 -43.44 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 1.11 111.481 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.433 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.8 t0 -49.69 -34.66 19.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.386 0.612 . . . . 1.51 109.986 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -67.46 -48.07 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.594 179.02 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 23' ' ' LYS . 21.6 mt -59.99 -46.91 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.516 -0.765 . . . . 0.55 110.371 179.162 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -47.98 -34.3 9.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.378 . . . . 1.32 111.099 179.79 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -29.21 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.19 110.372 179.685 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -84.42 -33.8 23.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 2.03 111.118 -179.805 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.55 -32.41 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.478 . . . . 1.06 110.716 179.903 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.28 -39.14 33.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.58 111.306 -179.668 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -54.19 -44.26 71.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.38 -0.373 . . . . 1.58 111.167 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -67.79 -52.96 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.63 111.179 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.201 -179.718 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.52 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.62 111.085 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 13' ' ' ILE . 15.0 mtpt -69.47 -35.61 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.43 111.101 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.882 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -69.28 -44.55 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.142 -179.815 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -53.55 53.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.268 -179.746 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -50.32 -43.32 53.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.031 0.443 . . . . 2.89 110.607 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.4 mm? -64.5 -35.71 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 1.38 110.202 179.33 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.323 179.4 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -32.57 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 2.33 109.767 179.111 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.12 -30.06 66.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.307 179.118 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 46.8 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.18 111.059 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.017 0.436 . . . . 2.15 110.424 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -80.96 -43.25 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.216 179.412 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' CD ' HD21 ' B' ' 27' ' ' LEU . 10.8 ttmm -59.25 -34.08 71.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.838 179.782 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.499 HG23 HD23 ' B' ' 27' ' ' LEU . 19.5 pt -72.68 -43.91 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.3 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.5 m-20 -48.84 -34.82 13.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.454 0.645 . . . . 1.48 109.941 179.66 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.6 t0 -67.94 -46.98 69.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.201 -0.909 . . . . 1.41 109.626 178.891 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.734 HG22 HD11 ' A' ' 17' ' ' ILE . 40.5 mt -61.21 -47.94 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.48 110.523 179.269 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.977 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.7 t0 -47.49 -35.0 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.87 0.367 . . . . 1.29 111.239 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -28.83 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.145 0.498 . . . . 1.11 110.525 179.656 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.6 -33.14 23.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.009 -179.799 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.8 mt -64.49 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.705 179.826 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.81 36.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.43 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -44.04 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 1.79 111.181 -179.844 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -67.61 -53.5 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.63 111.233 -179.853 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -50.7 -31.03 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.99 111.254 -179.663 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.52 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.65 111.241 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB3' HD13 ' B' ' 13' ' ' ILE . 20.4 mttm -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.53 111.2 -179.839 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.3 OUTLIER -72.22 -43.67 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 2.89 111.208 -179.732 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -53.7 50.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.333 . . . . 0.81 111.382 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -49.74 -43.6 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.052 0.453 . . . . 2.54 110.563 -179.763 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 1.35 110.199 179.307 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.776 0.322 . . . . 1.94 110.915 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.93 -35.73 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.391 179.67 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.95 -41.95 97.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 2.37 110.738 179.772 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.3 pt -70.63 -42.89 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.11 111.21 179.932 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 17.8 t0 -47.94 -34.47 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.349 0.595 . . . . 1.51 109.983 179.72 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.4 OUTLIER -68.48 -50.1 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.385 -0.825 . . . . 1.44 109.718 178.901 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.763 HG22 HD11 ' B' ' 17' ' ' ILE . 36.0 mt -58.8 -48.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.415 179.148 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -33.5 10.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 1.32 111.157 179.815 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -28.07 60.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 1.19 110.361 179.531 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 19.2 mt-10 -85.7 -35.23 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 2.03 110.891 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.3 mt -63.0 -31.93 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.06 110.592 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 -38.13 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.58 111.031 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -54.06 -43.49 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.999 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -71.16 -52.84 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.01 179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -52.59 -35.44 54.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.98 111.122 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.97 65.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.62 111.136 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.672 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -75.22 -35.25 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.43 111.079 -179.843 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.889 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -68.6 -44.04 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 2.28 111.21 -179.758 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -58.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.75 111.281 -179.649 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' NH1' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -47.53 -34.01 7.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 2.89 110.509 -179.903 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 23' ' ' LYS . 4.9 mp -70.76 -41.89 71.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.94 -0.573 . . . . 1.38 109.769 178.847 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -59.41 -49.14 84.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.546 . . . . 0.79 110.57 179.39 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -34.85 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 2.33 109.833 179.223 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.69 -29.64 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.39 110.432 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 54.0 p-80 . . . . . 0 CA--C 1.529 0.151 0 CA-C-N 116.287 -0.415 . . . . 3.18 110.952 179.667 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.6 tt0 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.927 0.394 . . . . 2.15 110.771 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -43.58 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 2.21 110.198 179.514 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -60.31 -40.83 91.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.65 -0.705 . . . . 2.42 110.76 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.5 pt -68.57 -42.77 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.95 111.046 179.913 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.6 t0 -47.98 -35.39 10.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.386 0.612 . . . . 1.48 109.88 179.516 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.29 -49.16 68.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.323 -0.853 . . . . 1.41 109.49 178.766 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 17' ' ' ILE . 39.3 mt -60.21 -47.27 92.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 0.48 110.36 179.108 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.6 t70 -48.06 -32.16 6.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 1.29 111.025 179.738 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -76.24 -29.29 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.382 179.595 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.8 mt-10 -84.38 -34.33 23.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.921 -0.581 . . . . 2.07 110.978 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -65.24 -33.03 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.768 179.946 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.64 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.66 111.251 -179.784 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -54.31 -46.5 72.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 1.79 110.879 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' B' ' 20' ' ' LEU . 11.0 mt -65.4 -50.24 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.63 110.95 179.819 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -53.16 -42.3 66.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 1.99 111.267 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.75 79.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.65 111.274 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' HD13 ' B' ' 13' ' ' ILE . 13.4 mtpt -65.15 -36.78 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 1.53 111.141 -179.851 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.715 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -72.34 -46.21 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 2.89 110.915 -179.943 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -50.54 71.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 0.81 111.285 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 27' ' ' LEU . 12.1 ptt180 -54.08 -42.14 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 2.54 110.607 -179.85 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.732 HD23 HG23 ' B' ' 10' ' ' ILE . 7.5 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 1.35 110.48 179.002 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.029 0.443 . . . . 1.94 111.083 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.34 -39.32 25.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.009 -0.541 . . . . 2.22 110.538 179.872 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.57 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.4 ttmm -61.28 -37.69 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 2.37 110.746 179.906 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.732 HG23 HD23 ' A' ' 27' ' ' LEU . 13.9 pt -69.0 -46.52 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 1.11 111.448 179.981 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -49.87 -33.87 18.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.498 0.665 . . . . 1.51 110.198 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -50.46 50.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.323 -0.853 . . . . 1.44 109.888 179.183 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' B' ' 17' ' ' ILE . 46.5 mt -58.4 -47.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 0.55 110.381 179.278 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -47.19 -35.84 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.234 179.845 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -28.89 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 1.19 110.376 179.666 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -86.18 -34.49 20.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.895 -0.593 . . . . 2.03 111.322 -179.61 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -63.51 -31.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 1.06 110.631 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -40.53 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.58 111.257 -179.78 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.37 -44.1 68.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 1.58 110.958 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -68.13 -53.11 27.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.981 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -50.46 -33.16 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.98 111.332 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.31 76.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.62 111.151 -179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 23' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 20' ' ' LEU . 10.7 mttm -66.71 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 1.43 111.197 -179.865 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.888 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.59 -44.49 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 2.28 111.259 -179.787 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -53.98 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.75 111.295 -179.633 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -49.58 -44.16 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 2.89 110.485 -179.815 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 10' ' ' ILE . 5.7 mp -63.74 -37.66 88.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 1.38 110.165 179.303 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.9 t -62.15 -45.8 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.79 110.413 179.359 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.8 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 2.33 109.698 179.031 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.83 -32.12 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 2.39 110.249 179.151 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 31' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 22.1 p-80 . . . . . 0 C--O 1.232 0.153 0 CA-C-N 116.287 -0.415 . . . . 3.18 111.036 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.824 0.345 . . . . 7.53 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.06 -35.01 4.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 4.49 112.497 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.39 -77.9 1.02 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 3.06 112.557 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -137.53 13.67 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.698 0.285 . . . . 3.1 111.445 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -52.0 -28.54 17.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 1.85 109.947 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' B' ' 31' ' ' HIS . 28.4 mt -83.55 -44.81 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 1.09 110.231 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HA ' HD11 ' A' ' 10' ' ' ILE . 17.7 tt0 -54.98 -28.34 50.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.512 -0.767 . . . . 2.17 110.74 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -76.97 -41.93 41.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 2.37 110.319 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -62.49 -38.96 91.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.669 -0.696 . . . . 2.13 110.671 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.7 pt -70.81 -43.47 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.5 111.233 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.64 -33.99 16.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.478 0.656 . . . . 1.57 109.825 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.57 71.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.195 -0.911 . . . . 1.72 109.114 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' A' ' 17' ' ' ILE . 29.4 mt -59.85 -47.03 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.353 -0.839 . . . . 0.48 110.193 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.6 -32.56 8.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 1.24 111.113 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -28.82 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.71 110.191 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.2 mt-10 -84.98 -34.32 22.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.843 -0.617 . . . . 2.04 111.127 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -64.53 -33.24 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.41 110.682 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.41 -38.34 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.45 111.235 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -44.57 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.394 . . . . 1.54 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 11.1 mt -67.28 -51.84 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.65 -33.92 35.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 1.77 111.286 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.97 71.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.55 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.81 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.26 -33.37 74.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 2.0 111.091 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -71.72 -46.99 56.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.8 111.3 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -55.54 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.56 111.195 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -43.72 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 2.74 110.333 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -63.44 -36.65 84.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 1.21 110.064 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.8 t -62.78 -44.33 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.81 110.069 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -33.23 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 2.26 109.468 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -68.88 -31.88 71.13 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.493 -0.776 . . . . 2.38 110.217 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' HB3' HD12 ' B' ' 6' ' ' ILE . 22.3 p-80 -139.52 73.9 34.97 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.239 -0.437 . . . . 1.45 110.999 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.3 -27.39 28.73 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.556 2.171 . . . . 1.51 112.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 3.99 110.895 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.815 0.34 . . . . 7.32 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.43 76.98 0.12 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 4.09 112.477 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.48 -72.47 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 2.78 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -135.59 12.64 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.719 0.295 . . . . 2.72 111.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -28.59 16.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 2.0 109.908 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 31' ' ' HIS . 26.2 mt -81.24 -44.97 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.318 -0.855 . . . . 1.09 110.24 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 -55.54 -27.86 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.465 -0.788 . . . . 1.88 110.82 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -76.8 -43.44 36.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 2.42 110.301 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -61.22 -39.61 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.732 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.8 pt -69.78 -43.48 79.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.49 111.226 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.22 -34.14 14.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.452 0.644 . . . . 1.63 109.878 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.43 -47.77 72.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.261 -0.881 . . . . 1.68 109.052 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.697 HG22 HD11 ' B' ' 17' ' ' ILE . 20.1 mt -59.44 -46.5 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.287 -0.869 . . . . 0.44 110.16 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.9 t0 -48.48 -33.09 8.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 1.18 111.055 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.66 60.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.69 110.195 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -85.42 -34.6 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 2.03 111.206 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.8 mt -64.07 -32.74 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.39 110.697 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 -39.6 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 0.43 111.222 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.81 -43.37 69.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 1.57 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -68.41 -52.29 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.56 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -52.26 -33.37 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 1.75 111.249 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.82 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.56 111.08 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.883 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -69.94 -33.21 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.82 111.156 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.18 -43.83 70.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.351 -0.386 . . . . 0.9 111.168 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -55.36 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.66 111.288 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.1 ptm180 -50.06 -42.54 50.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.132 0.492 . . . . 2.77 110.45 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.883 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.4 OUTLIER -63.83 -36.96 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.639 . . . . 1.43 110.003 179.094 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.58 -44.06 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.83 110.04 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -32.17 33.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 2.13 109.495 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.08 -31.81 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.509 -0.769 . . . . 2.16 110.24 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.663 ' HB3' HD12 ' A' ' 6' ' ' ILE . 20.7 p-80 -139.95 70.54 35.72 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.284 -0.416 . . . . 1.26 111.007 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.15 -27.4 29.44 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.564 2.176 . . . . 1.42 112.365 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 4.14 110.921 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.803 0.335 . . . . 4.94 111.226 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.06 39.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 3.04 112.486 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.96 -119.05 2.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.838 -0.696 . . . . 1.84 112.466 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.29 14.1 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.664 0.269 . . . . 2.71 111.374 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -52.79 -28.72 23.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.187 0.518 . . . . 2.64 110.08 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.64 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -80.22 -44.46 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 1.8 110.329 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.75 -26.51 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 2.15 110.774 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -79.92 -43.38 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 2.21 110.361 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.589 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -59.9 -36.21 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.654 -0.703 . . . . 2.42 110.768 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -70.49 -43.16 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.132 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -49.14 -34.42 14.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.395 0.617 . . . . 1.48 109.804 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.7 m-20 -67.27 -47.73 69.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.299 -0.864 . . . . 1.41 109.584 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.737 HG22 HD11 ' A' ' 17' ' ' ILE . 42.2 mt -60.94 -47.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.657 -0.701 . . . . 0.48 110.372 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.25 -32.65 7.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.085 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -76.03 -28.83 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.359 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.3 mm-40 -84.45 -33.8 23.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.988 -0.551 . . . . 2.07 110.885 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.6 -33.96 66.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.952 -0.567 . . . . 0.94 110.727 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.55 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.814 -0.63 . . . . 0.66 111.167 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.17 -44.36 71.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 1.79 110.997 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.83 -50.31 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.63 111.003 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.62 -33.73 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.99 111.133 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.47 66.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.65 111.124 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -70.89 -32.9 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.53 111.057 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.852 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 ttt-85 -72.24 -42.7 65.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 2.89 111.062 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -54.48 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.81 111.231 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -48.72 -43.18 37.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 2.54 110.504 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 HG23 ' B' ' 6' ' ' ILE . 0.6 OUTLIER -63.7 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 1.35 110.075 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.8 t -61.52 -44.83 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.79 110.246 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -33.62 39.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 2.23 109.605 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -31.87 71.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.726 . . . . 2.29 110.248 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.612 ' CE1' HG22 ' B' ' 6' ' ' ILE . 20.7 p-80 -137.79 81.22 29.03 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-N 116.287 -0.415 . . . . 2.47 110.945 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -68.85 166.88 24.83 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 2.23 112.3 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 5.58 110.947 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 91.9 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.761 0.315 . . . . 5.51 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.43 27.85 5.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.777 . . . . 3.11 112.508 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.97 -105.64 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 1.66 112.476 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.87 13.79 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.677 0.275 . . . . 2.59 111.328 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -52.38 -29.35 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.241 0.543 . . . . 2.22 110.117 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.612 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.6 mt -79.83 -44.4 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.45 -0.795 . . . . 1.57 110.226 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.7 tt0 -56.5 -27.07 56.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 1.94 110.729 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -79.02 -43.7 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.138 0.494 . . . . 2.22 110.151 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 2.37 110.69 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.57 -42.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 1.11 111.021 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.6 OUTLIER -48.04 -34.87 10.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.403 0.62 . . . . 1.51 109.791 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.05 -48.26 68.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.851 . . . . 1.44 109.446 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' B' ' 17' ' ' ILE . 31.1 mt -59.82 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.597 -0.729 . . . . 0.55 110.371 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.1 t70 -48.68 -32.41 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.93 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.19 110.309 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.4 mt-10 -85.32 -35.02 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.39 -33.18 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.06 110.721 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -36.76 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.152 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.15 -45.35 71.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.941 0.401 . . . . 1.58 110.811 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 20' ' ' LEU . 7.5 mt -68.46 -50.5 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.63 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -52.24 -31.29 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.98 111.074 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.78 -33.75 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.62 111.068 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -33.01 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 1.43 110.956 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.876 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -71.76 -40.9 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.042 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -55.52 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.75 111.372 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.413 ' NH1' HD12 ' B' ' 27' ' ' LEU . 7.4 ptm180 -48.72 -42.72 36.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.07 0.462 . . . . 2.89 110.517 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.589 HD21 ' HD2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -62.94 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.629 . . . . 1.38 109.949 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.9 t -61.47 -44.82 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.79 110.128 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -31.54 35.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 2.33 109.713 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.569 -0.742 . . . . 2.39 110.307 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.64 ' CE1' HG22 ' A' ' 6' ' ' ILE . 23.3 p-80 -140.23 70.99 33.85 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.02 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.76 -27.67 14.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.537 2.158 . . . . 2.31 112.317 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.224 -0.894 . . . . 5.81 110.884 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.82 0.343 . . . . 4.94 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.81 117.87 13.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 3.04 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.51 -76.45 1.32 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 1.84 112.515 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -103.35 15.2 29.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 2.71 111.352 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -29.52 27.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.151 0.5 . . . . 2.64 110.057 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.714 HD12 ' HB3' ' B' ' 31' ' ' HIS . 26.5 mt -82.24 -44.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 1.8 110.263 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -26.25 36.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.641 -0.709 . . . . 2.15 110.722 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -43.67 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 2.21 110.156 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -60.83 -43.18 98.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.699 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' B' ' 24' ' ' ARG . 13.9 pt -67.15 -42.5 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.95 111.058 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.18 -35.17 11.22 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.886 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -47.09 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.36 -0.836 . . . . 1.41 109.504 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 17' ' ' ILE . 35.3 mt -61.34 -47.72 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.48 110.314 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.921 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t70 -47.96 -31.8 5.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.025 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.9 -29.24 55.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 1.11 110.449 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -84.53 -33.33 23.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 2.07 110.937 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.71 -36.3 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 0.94 110.66 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.06 -34.91 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.691 -0.686 . . . . 0.66 111.277 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -47.95 73.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.79 110.737 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' B' ' 20' ' ' LEU . 7.0 mt -64.01 -51.68 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.838 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -49.03 -30.37 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.474 . . . . 1.99 111.044 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.85 67.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.65 111.004 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.19 -33.23 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 1.53 111.054 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.1 ttt-85 -71.63 -43.11 66.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 2.89 111.129 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -54.73 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.81 111.253 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -49.21 -44.98 43.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 2.54 110.407 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mp -60.86 -38.21 84.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.763 -0.653 . . . . 1.35 109.899 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.2 t -63.12 -45.0 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 116.117 -0.492 . . . . 0.79 110.168 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -52.45 -27.7 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.783 -0.644 . . . . 2.23 109.92 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -76.8 -30.7 56.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.701 -0.681 . . . . 2.29 110.443 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' CE1' HG22 ' B' ' 6' ' ' ILE . 21.4 p-80 -138.34 59.92 19.57 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.44 -0.346 . . . . 2.47 111.083 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.42 -30.82 1.83 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.615 2.21 . . . . 2.23 112.381 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 5.58 110.925 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 5.51 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.66 164.13 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 3.11 112.515 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.69 -93.81 0.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 1.66 112.504 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -93.38 14.27 19.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 2.59 111.381 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -52.91 -28.72 24.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.173 0.511 . . . . 2.22 110.087 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.598 HG22 ' CE1' ' A' ' 31' ' ' HIS . 22.7 mt -79.32 -44.85 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.459 -0.791 . . . . 1.57 110.282 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.37 -29.37 58.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.626 -0.715 . . . . 1.94 110.722 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.43 -43.2 27.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 2.22 110.114 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -60.57 -36.51 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.567 -0.742 . . . . 2.37 110.815 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.1 pt -70.69 -43.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 1.11 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -48.51 -34.47 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.404 0.621 . . . . 1.51 109.817 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.3 OUTLIER -67.33 -47.01 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.273 -0.876 . . . . 1.44 109.515 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.756 HG22 HD11 ' B' ' 17' ' ' ILE . 35.4 mt -61.0 -48.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.55 110.372 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.41 -31.82 6.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 1.32 110.97 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.38 -28.38 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.393 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 2.03 110.944 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.9 mt -64.17 -34.63 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 1.06 110.647 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.82 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.693 -0.685 . . . . 0.58 111.285 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.33 -43.48 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 1.58 110.848 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -69.6 -49.74 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.63 110.85 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.18 -34.69 32.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 1.98 111.121 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.27 73.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.62 111.035 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -67.07 -32.96 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.43 111.056 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -73.36 -42.96 61.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.28 111.101 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -53.66 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.75 111.209 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -49.85 -44.93 49.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.139 0.495 . . . . 2.89 110.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.574 HD22 HG23 ' A' ' 6' ' ' ILE . 10.2 mt -61.57 -37.31 83.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 1.38 110.0 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.2 t -64.82 -43.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.79 110.091 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -52.99 -28.52 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 2.33 109.855 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -76.49 -31.16 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.39 110.497 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.714 ' HB3' HD12 ' A' ' 6' ' ' ILE . 25.1 p-80 -138.58 60.93 21.82 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 120.9 0.381 . . . . 3.18 110.994 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.22 -30.76 5.22 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.656 2.237 . . . . 2.31 112.362 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.234 -0.889 . . . . 5.81 110.887 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 4.94 111.186 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.41 -137.52 2.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 3.04 112.485 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.48 -166.17 17.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 1.84 112.503 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -93.68 14.5 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 2.71 111.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -27.44 27.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.25 0.548 . . . . 2.64 110.012 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.649 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.4 mt -81.32 -44.75 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.463 -0.79 . . . . 1.8 110.345 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 10' ' ' ILE . 8.1 tt0 -56.41 -28.74 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.569 -0.741 . . . . 2.15 110.809 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -74.71 -40.35 61.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.111 0.482 . . . . 2.21 110.195 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -60.69 -40.0 90.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.89 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.6 pt -70.06 -43.18 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.95 111.097 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.7 t70 -47.99 -34.41 9.26 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.389 0.614 . . . . 1.48 109.998 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -68.22 -48.29 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.324 -0.853 . . . . 1.41 109.597 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 17' ' ' ILE . 35.2 mt -59.93 -48.05 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.692 -0.685 . . . . 0.48 110.287 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.83 -32.82 9.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.223 -0.444 . . . . 1.29 111.136 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.87 -28.15 60.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.11 110.288 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 mm-40 -85.7 -35.81 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 2.07 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -62.54 -32.25 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.94 110.64 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.62 -37.16 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.66 111.082 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -54.18 -43.89 71.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.948 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 11.3 mt -70.33 -51.52 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.983 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -32.68 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.99 111.144 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.98 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.65 111.225 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.64 -35.48 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 1.53 111.032 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.868 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -66.55 -44.71 81.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 2.89 111.136 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -55.36 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.81 111.239 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -48.8 -42.28 35.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.084 0.469 . . . . 2.54 110.435 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 23' ' ' LYS . 3.6 mt -63.51 -38.64 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 1.35 109.938 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 24' ' ' ARG . 26.3 t -63.6 -44.77 98.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.79 110.108 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -52.71 -29.0 24.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 2.23 109.887 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -74.12 -31.65 62.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.662 -0.699 . . . . 2.29 110.321 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.656 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.4 p-80 -138.94 66.05 38.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.346 -0.388 . . . . 2.47 111.061 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.3 -28.75 12.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.509 2.139 . . . . 2.23 112.346 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 5.58 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 5.51 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.27 55.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 3.11 112.539 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.21 -133.47 16.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 1.66 112.535 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.42 12.89 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.295 . . . . 2.59 111.419 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.61 -28.13 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.143 0.497 . . . . 2.22 110.154 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.656 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mt -79.88 -43.91 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.446 -0.797 . . . . 1.57 110.394 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -31.28 65.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 1.94 110.82 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.23 -41.79 39.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.163 -0.472 . . . . 2.22 110.335 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.51 80.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 2.37 110.817 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.437 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.3 pt -71.89 -43.87 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 1.11 111.223 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.0 m-20 -49.0 -34.66 13.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.392 0.615 . . . . 1.51 109.88 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 13.1 t0 -67.6 -46.79 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.44 109.521 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' B' ' 17' ' ' ILE . 47.8 mt -61.2 -47.73 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.55 110.29 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.1 t0 -47.89 -33.13 7.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.182 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -75.81 -28.91 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.19 110.418 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.64 -33.84 23.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 2.03 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.7 mt -64.07 -34.31 67.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 1.06 110.649 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 -37.66 43.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.756 -0.657 . . . . 0.58 111.252 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -45.13 73.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.883 0.373 . . . . 1.58 111.09 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 7.6 mt -67.13 -52.99 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.63 111.104 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -33.47 14.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.225 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -33.5 66.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.62 111.137 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 13' ' ' ILE . 10.7 mtpp -70.89 -32.83 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 1.43 111.123 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.74 -42.17 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 2.28 111.236 -179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -54.17 39.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.75 111.339 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -49.66 -44.18 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 2.89 110.476 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.648 HD12 HG23 ' A' ' 6' ' ' ILE . 3.0 mm? -62.69 -36.52 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 1.38 110.109 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.71 -43.2 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.79 110.133 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.69 -33.16 46.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 2.33 109.65 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.79 -31.7 69.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.577 -0.738 . . . . 2.39 110.199 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' A' ' 6' ' ' ILE . 33.2 p-80 -142.17 72.44 22.4 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 3.18 110.971 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.35 -28.6 27.04 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.202 . . . . 2.31 112.259 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.18 -0.914 . . . . 5.81 110.898 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.789 0.328 . . . . 4.94 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.75 141.6 6.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.73 -0.748 . . . . 3.04 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.34 -121.49 0.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 1.84 112.434 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.82 12.98 21.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 2.71 111.356 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.69 -28.14 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 2.64 110.074 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.646 HG22 ' CE1' ' B' ' 31' ' ' HIS . 26.5 mt -79.87 -44.59 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.417 -0.811 . . . . 1.8 110.352 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -56.83 -29.02 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.722 . . . . 2.15 110.803 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -42.29 21.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.187 0.518 . . . . 2.21 110.149 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.641 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -60.23 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.601 -0.727 . . . . 2.42 110.765 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.2 pt -71.84 -43.53 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.95 111.049 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 14.0 t70 -48.7 -34.62 12.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.354 0.597 . . . . 1.48 109.748 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.97 -49.36 65.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.356 -0.838 . . . . 1.41 109.641 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.681 HG22 HD11 ' A' ' 17' ' ' ILE . 42.9 mt -59.67 -47.29 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.48 110.406 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.43 -32.87 8.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.002 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.66 -28.41 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 1.11 110.381 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.59 -33.85 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 2.07 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.0 mt -64.31 -33.9 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.94 110.663 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.35 -37.08 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.66 111.356 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.98 -43.94 70.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.946 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' B' ' 20' ' ' LEU . 9.6 mt -69.04 -50.76 45.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.937 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.26 -34.65 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 1.99 111.089 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.66 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.65 111.019 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.574 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.3 mtpp -69.46 -32.48 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 1.53 111.135 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -71.12 -47.09 59.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 2.89 111.284 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -55.73 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.294 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -43.45 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.069 0.462 . . . . 2.54 110.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 23' ' ' LYS . 1.6 mt -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 1.35 109.956 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.1 t -62.08 -45.02 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.474 . . . . 0.79 110.193 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -30.96 26.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.878 -0.601 . . . . 2.23 109.752 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -71.56 -32.17 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 2.29 110.292 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.695 ' HB3' HD12 ' B' ' 6' ' ' ILE . 33.2 p-80 -135.64 70.3 65.98 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.315 -0.402 . . . . 2.47 110.992 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.15 -30.13 4.54 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.603 2.202 . . . . 2.23 112.279 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 5.58 110.839 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.895 0.379 . . . . 5.51 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.68 124.75 37.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.626 -0.797 . . . . 3.11 112.575 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.75 86.75 1.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 1.66 112.507 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 62.3 17.65 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.744 0.307 . . . . 2.59 111.366 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -28.93 47.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.189 0.518 . . . . 2.22 110.128 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 31' ' ' HIS . 22.5 mt -80.77 -45.05 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.491 -0.777 . . . . 1.57 110.298 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.07 -26.66 39.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 1.94 110.757 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -78.1 -41.28 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 2.22 110.318 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.74 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.718 -0.673 . . . . 2.37 110.706 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.419 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.6 pt -68.93 -43.28 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.052 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t70 -49.95 -34.7 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 1.51 109.738 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.05 -45.34 81.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.354 -0.839 . . . . 1.44 109.099 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' B' ' 17' ' ' ILE . 34.3 mt -61.05 -45.68 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.327 -0.851 . . . . 0.55 109.956 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.8 t0 -48.68 -32.57 8.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.319 -0.4 . . . . 1.32 110.875 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.53 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.362 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mt-10 -85.06 -33.87 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 2.03 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.24 -34.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 1.06 110.683 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -36.2 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.686 -0.688 . . . . 0.58 111.157 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.73 -44.96 73.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.58 110.895 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 20' ' ' LEU . 6.5 mt -67.69 -50.71 56.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.63 110.912 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -51.71 -30.62 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.98 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -34.0 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.62 110.908 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.06 -34.83 75.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 1.43 110.875 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.881 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.68 -42.23 74.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 2.28 110.887 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -55.28 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.259 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -48.74 -42.79 36.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.105 0.479 . . . . 2.89 110.46 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.641 HD21 ' HD2' ' A' ' 9' ' ' LYS . 5.0 mp -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.38 110.001 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -61.2 -43.45 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.27 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.03 -33.58 52.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.8 -0.637 . . . . 2.33 109.602 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.31 -31.32 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.208 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.646 ' CE1' HG22 ' A' ' 6' ' ' ILE . 19.4 p-80 -138.36 82.11 23.9 Favored Pre-proline 0 C--N 1.333 -0.129 0 CA-C-N 116.322 -0.399 . . . . 3.18 111.01 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.81 -9.72 26.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.609 2.206 . . . . 2.31 112.667 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.192 -0.908 . . . . 5.81 110.981 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.854 0.359 . . . . 4.94 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.83 81.73 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 3.04 112.544 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.43 -99.2 2.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 1.84 112.518 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -108.54 14.33 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 2.71 111.458 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -52.16 -29.52 22.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.176 0.512 . . . . 2.64 110.105 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.703 HD12 ' HB3' ' B' ' 31' ' ' HIS . 27.5 mt -82.66 -43.83 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.362 -0.835 . . . . 1.8 110.316 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 10' ' ' ILE . 2.8 tt0 -55.4 -25.98 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.651 -0.704 . . . . 2.15 110.793 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.48 -44.55 43.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 2.21 110.201 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -43.87 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.76 -0.654 . . . . 2.42 110.74 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.1 pt -67.29 -42.69 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 0.95 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.34 -35.65 8.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.413 0.625 . . . . 1.48 109.909 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.61 -48.65 68.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.489 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' A' ' 17' ' ' ILE . 28.3 mt -60.08 -46.92 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.48 110.376 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.14 -32.85 7.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.287 -0.415 . . . . 1.29 111.045 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -29.17 59.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.11 110.27 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.6 mt-10 -84.69 -33.72 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 2.07 110.982 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.88 -32.95 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.762 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.79 35.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.66 111.357 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.35 -45.05 69.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.958 0.409 . . . . 1.79 110.904 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 20' ' ' LEU . 10.4 mt -68.3 -49.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.63 110.889 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.74 -37.31 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.99 111.108 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.31 -35.02 77.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.65 110.852 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.9 mtpt -65.37 -33.11 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 1.53 111.073 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.37 -46.93 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 2.89 111.176 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -52.12 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.81 111.332 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -51.72 -47.58 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 2.54 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 HG23 ' B' ' 10' ' ' ILE . 6.6 mp -60.8 -35.05 75.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 1.35 110.043 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 24' ' ' ARG . 34.7 t -66.07 -43.89 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.265 -0.425 . . . . 0.79 110.149 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -51.03 -30.24 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.894 -0.594 . . . . 2.23 109.91 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -75.73 -32.89 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.604 -0.726 . . . . 2.29 110.446 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.594 ' HB3' HD13 ' B' ' 6' ' ' ILE . 19.0 p-80 -137.93 61.68 29.7 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.377 -0.374 . . . . 2.47 111.048 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.75 -31.18 8.71 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.577 2.184 . . . . 2.23 112.369 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 5.58 110.89 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 5.51 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.01 168.27 15.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.76 . . . . 3.11 112.475 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.16 29.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 1.66 112.473 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.2 17.6 9.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.72 0.295 . . . . 2.59 111.392 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.25 -29.84 48.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.189 0.519 . . . . 2.22 110.007 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 31' ' ' HIS . 1.6 mp -77.24 -46.56 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.423 -0.808 . . . . 1.57 110.294 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.423 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -54.64 -29.69 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 1.94 110.794 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -76.75 -41.69 43.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 2.22 110.262 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE2' HD21 ' A' ' 27' ' ' LEU . 6.6 mtpt -61.75 -40.72 96.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 2.37 110.684 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.492 HG23 HD23 ' A' ' 27' ' ' LEU . 17.4 pt -69.53 -43.04 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.152 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -48.8 -34.91 13.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.386 0.612 . . . . 1.51 109.985 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.0 -47.73 70.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.309 -0.86 . . . . 1.44 109.398 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.721 HD13 ' HB3' ' A' ' 23' ' ' LYS . 24.1 mt -60.04 -46.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.463 -0.79 . . . . 0.55 110.162 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.71 -32.53 8.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.009 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -28.78 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.19 110.304 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.0 mm-40 -85.03 -33.9 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 2.03 111.009 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.2 -32.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.06 110.773 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.33 -37.31 32.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 0.58 111.25 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.49 -43.74 68.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 20' ' ' LEU . 7.3 mt -70.13 -49.94 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.63 110.969 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -37.68 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.159 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.31 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.62 111.196 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.568 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.4 mtpt -70.26 -32.46 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.43 111.02 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.7 ttt-85 -72.42 -43.99 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 2.28 111.088 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -53.89 48.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.395 . . . . 0.75 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -48.96 -43.67 40.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.089 0.471 . . . . 2.89 110.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.2 mt -63.55 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.779 -0.646 . . . . 1.38 110.126 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 23.2 t -63.81 -44.06 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.79 110.249 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -31.52 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 2.33 109.807 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -71.37 -32.17 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.634 -0.712 . . . . 2.39 110.285 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.703 ' HB3' HD12 ' A' ' 6' ' ' ILE . 22.9 p-80 -137.12 71.25 55.25 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.278 -0.419 . . . . 3.18 111.004 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.58 -27.25 32.91 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.55 2.167 . . . . 2.31 112.353 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.17 -0.919 . . . . 5.81 110.879 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.908 0.385 . . . . 4.94 111.166 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.59 177.48 21.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 3.04 112.511 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.41 -145.45 18.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 1.84 112.505 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -92.78 13.87 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.7 0.286 . . . . 2.71 111.377 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.09 -28.32 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 2.64 110.018 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.74 HG23 HD12 ' B' ' 27' ' ' LEU . 24.6 mt -79.18 -44.99 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.388 -0.824 . . . . 1.8 110.197 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 -55.26 -26.19 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.616 -0.72 . . . . 2.15 110.718 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -78.45 -40.83 34.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 2.21 110.132 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -61.74 -38.97 89.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.698 -0.683 . . . . 2.42 110.777 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.445 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.0 pt -69.45 -43.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.06 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -48.87 -35.49 14.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.447 0.642 . . . . 1.48 109.658 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -66.67 -44.61 81.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.228 -0.897 . . . . 1.41 109.101 178.553 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 17' ' ' ILE . 14.7 mt -60.9 -47.28 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 0.48 110.139 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.7 t0 -48.51 -32.63 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.947 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -28.58 59.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.11 110.335 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' HD12 ' B' ' 20' ' ' LEU . 15.5 mt-10 -85.31 -35.25 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 2.07 110.981 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -63.16 -33.23 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.542 . . . . 0.94 110.715 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -36.57 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.702 -0.681 . . . . 0.66 111.17 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -44.13 71.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 1.79 110.809 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.5 mt -69.21 -51.14 40.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.63 110.862 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.87 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 1.99 111.098 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.81 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.65 110.936 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -68.62 -35.54 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 1.53 110.852 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.892 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.34 -41.58 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 2.89 111.158 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -54.81 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.81 111.411 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -49.36 -44.08 44.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.07 0.462 . . . . 2.54 110.473 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.9 OUTLIER -61.11 -37.74 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.601 . . . . 1.35 109.866 179.02 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 24' ' ' ARG . 30.9 t -64.99 -41.42 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.009 -0.541 . . . . 0.79 110.099 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -29.67 31.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.716 -0.674 . . . . 2.23 109.919 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.73 -31.33 57.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.66 -0.7 . . . . 2.29 110.471 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.607 ' CE1' HG22 ' B' ' 6' ' ' ILE . 18.7 p-80 -137.56 60.31 25.1 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-O 120.906 0.384 . . . . 2.47 111.064 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.04 -30.73 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.699 2.266 . . . . 2.23 112.443 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 5.58 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.805 0.336 . . . . 5.51 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.44 -75.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 3.11 112.462 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.01 57.09 1.74 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.789 -0.72 . . . . 1.66 112.509 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.22 17.33 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 2.59 111.456 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.78 -28.03 45.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 2.22 110.088 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' A' ' 31' ' ' HIS . 22.7 mt -80.11 -45.88 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.516 -0.765 . . . . 1.57 110.347 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.25 -30.07 59.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.744 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -77.83 -42.57 33.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 2.22 110.127 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.97 -36.81 80.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 2.37 110.79 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.2 pt -71.25 -43.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 1.11 111.151 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 7.4 t70 -48.39 -34.75 11.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.348 0.594 . . . . 1.51 109.761 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 32.5 m-20 -67.53 -47.49 69.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.3 -0.864 . . . . 1.44 109.543 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.696 HG22 HD11 ' B' ' 17' ' ' ILE . 35.7 mt -60.47 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.55 110.345 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.54 -32.55 8.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.32 111.019 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.62 -28.26 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.19 110.389 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 5.8 mm-40 -85.08 -35.12 22.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 2.03 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -62.96 -34.53 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.06 110.623 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.9 38.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.744 -0.662 . . . . 0.58 111.193 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.13 -41.68 68.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.58 111.074 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -70.91 -56.14 6.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.63 111.069 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -39.19 36.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 1.98 111.12 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.51 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.817 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD23 ' B' ' 27' ' ' LEU . 10.1 mtpp -74.54 -33.18 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 1.43 110.926 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 19.5 ttt180 -72.33 -44.22 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 2.28 111.149 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -54.45 45.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.75 110.829 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -49.84 -42.78 48.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.89 110.335 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.74 HD12 HG23 ' A' ' 6' ' ' ILE . 3.0 mm? -63.49 -38.16 90.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.794 -0.639 . . . . 1.38 109.888 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.0 t -64.18 -43.08 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.79 110.339 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -52.83 -32.78 46.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 2.33 109.978 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -71.2 -32.03 68.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 2.39 110.329 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.634 ' HB3' HD12 ' A' ' 6' ' ' ILE . 38.5 p-80 -133.97 71.93 73.07 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.905 0.383 . . . . 3.18 111.092 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 -25.54 34.51 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.559 2.172 . . . . 2.31 112.287 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 5.81 110.941 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.816 0.341 . . . . 4.94 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.38 20.6 8.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.821 -0.704 . . . . 3.04 112.645 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.43 -90.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 1.84 112.607 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -112.39 16.12 20.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.68 0.276 . . . . 2.71 111.315 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -52.22 -31.23 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.212 0.529 . . . . 2.64 109.951 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.3 mp -82.62 -44.0 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.4 -0.818 . . . . 1.8 110.174 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 10' ' ' ILE . 7.0 tt0 -53.58 -25.72 18.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.549 -0.75 . . . . 2.15 110.667 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -75.55 -43.1 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 2.21 110.086 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -43.96 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 2.42 110.698 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.1 pt -66.61 -42.48 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.95 110.911 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.65 -35.18 9.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.378 0.609 . . . . 1.48 109.879 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.82 -48.51 68.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.61 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' A' ' 17' ' ' ILE . 38.4 mt -60.17 -47.11 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.632 -0.713 . . . . 0.48 110.335 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.9 t0 -48.73 -31.98 7.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 1.29 110.985 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.64 58.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.334 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.32 -33.69 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -65.13 -33.57 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.593 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -36.52 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.66 111.218 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -53.28 -43.37 67.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 1.79 110.837 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' B' ' 20' ' ' LEU . 6.8 mt -70.33 -50.14 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.63 110.757 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.56 -34.99 52.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.88 -33.09 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.65 110.898 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.43 -36.42 81.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 1.53 110.835 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -65.81 -46.85 77.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 2.89 111.067 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -55.56 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.227 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.6 ptm180 -49.64 -43.56 46.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.101 0.476 . . . . 2.54 110.432 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.733 HD12 HG23 ' B' ' 6' ' ' ILE . 3.1 mm? -62.13 -38.49 89.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 1.35 109.968 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 24' ' ' ARG . 37.2 t -63.0 -43.68 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.79 110.166 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -52.08 -30.85 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 2.23 109.795 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -73.35 -31.51 64.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 2.29 110.281 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.607 ' CE1' HG22 ' B' ' 6' ' ' ILE . 34.0 p-80 -137.32 65.91 50.8 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-N 116.313 -0.403 . . . . 2.47 111.009 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.4 -26.09 1.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.693 2.262 . . . . 2.23 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 5.58 110.901 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 5.51 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.18 -107.84 3.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 3.11 112.545 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.72 -147.98 34.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 1.66 112.562 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.23 14.47 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 2.59 111.367 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -53.26 -28.64 28.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.145 0.498 . . . . 2.22 109.876 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.733 HG23 HD12 ' A' ' 27' ' ' LEU . 2.5 mp -79.03 -45.52 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.433 -0.803 . . . . 1.57 110.265 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.84 -26.72 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.493 -0.776 . . . . 1.94 110.686 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -39.25 29.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.11 0.481 . . . . 2.22 110.244 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -36.9 84.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 2.37 110.656 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.0 pt -70.11 -43.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.11 111.133 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.4 t0 -50.63 -34.82 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.429 0.633 . . . . 1.51 109.722 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -44.99 83.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.241 -0.89 . . . . 1.44 109.201 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.678 HG22 HD11 ' B' ' 17' ' ' ILE . 25.3 mt -61.9 -46.84 95.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.313 -0.858 . . . . 0.55 110.134 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.9 t0 -47.99 -31.46 5.35 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.277 -0.42 . . . . 1.32 110.93 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -30.13 55.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 1.19 110.493 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.9 mt-10 -83.9 -32.31 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.599 . . . . 2.03 111.012 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -65.71 -36.25 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 1.06 110.718 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.36 55.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 0.58 111.356 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 1.58 110.857 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' A' ' 20' ' ' LEU . 6.3 mt -63.8 -51.1 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.63 110.79 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -48.86 -30.58 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 1.98 110.976 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.99 -36.85 67.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.62 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -66.4 -31.89 72.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 1.43 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.22 -42.61 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 2.28 111.122 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -54.25 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.75 111.32 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.9 -45.49 50.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.104 0.478 . . . . 2.89 110.399 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.435 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 mt -60.38 -36.75 78.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.811 -0.632 . . . . 1.38 110.077 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.1 t -65.14 -42.5 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.79 110.108 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -52.78 -29.5 27.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.876 -0.602 . . . . 2.33 109.955 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.42 -31.08 57.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 2.39 110.471 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.573 ' CE1' HG22 ' A' ' 6' ' ' ILE . 25.6 p-80 -139.14 61.27 20.18 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.946 0.403 . . . . 3.18 111.08 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.93 -28.32 11.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.615 2.21 . . . . 2.31 112.298 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.245 -0.883 . . . . 5.81 110.88 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.797 0.332 . . . . 4.94 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.98 170.61 14.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 3.04 112.5 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.87 -85.65 1.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 1.84 112.483 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 14.88 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.692 0.282 . . . . 2.71 111.244 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.56 -27.36 25.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.242 0.544 . . . . 2.64 110.092 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.65 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.0 mt -81.37 -45.08 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.421 -0.809 . . . . 1.8 110.259 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -57.19 -29.59 63.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 2.15 110.801 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -79.81 -40.48 28.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 2.21 110.119 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.14 -36.31 79.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 2.42 110.732 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.6 pt -71.12 -43.21 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.383 -0.371 . . . . 0.95 111.09 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.44 -34.34 16.39 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.372 0.606 . . . . 1.48 109.826 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.5 m-20 -67.82 -45.85 73.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.523 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 30.6 mt -61.7 -47.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.551 -0.75 . . . . 0.48 110.327 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.86 -32.4 8.8 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.3 -0.409 . . . . 1.29 111.003 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.97 -28.51 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 1.11 110.357 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.4 mm-40 -84.06 -33.99 24.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 2.07 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.7 mt -64.28 -34.84 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.94 110.743 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -35.86 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.66 111.436 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 1.79 110.78 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -62.79 -52.97 61.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.63 110.945 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.48 -30.15 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 1.99 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.09 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.65 110.935 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -67.83 -31.32 71.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.17 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -71.97 -42.46 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 2.89 111.248 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.22 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.81 111.464 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -39.09 26.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.037 0.446 . . . . 2.54 110.645 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -67.16 -38.65 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 1.35 109.948 179.107 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 24' ' ' ARG . 46.4 t -60.14 -45.81 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.79 110.213 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 -34.9 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.526 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -65.99 -30.63 71.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.529 -0.759 . . . . 2.29 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 6' ' ' ILE . 30.9 p-80 -141.46 88.29 9.93 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-N 116.339 -0.392 . . . . 2.47 111.017 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.77 59.14 6.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.637 2.224 . . . . 2.23 112.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 5.58 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 5.51 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.24 82.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 3.11 112.461 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.81 -135.14 2.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 1.66 112.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -94.06 14.88 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.717 0.294 . . . . 2.59 111.372 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.04 -29.35 29.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.248 0.547 . . . . 2.22 110.089 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mt -78.74 -44.98 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.414 -0.812 . . . . 1.57 110.238 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.06 -24.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.705 . . . . 1.94 110.753 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -40.18 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 2.22 110.11 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -61.78 -36.92 82.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 2.37 110.803 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.28 -43.58 78.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.11 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.2 m-20 -49.71 -34.64 19.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.433 0.635 . . . . 1.51 109.804 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.14 -45.57 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.356 178.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.715 HG22 HD11 ' B' ' 17' ' ' ILE . 19.4 mt -61.16 -48.06 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.55 110.221 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.9 t0 -48.7 -31.62 7.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.242 -0.435 . . . . 1.32 111.0 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -28.46 57.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.19 110.357 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 6.4 mm-40 -85.54 -34.68 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.843 -0.617 . . . . 2.03 110.967 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.6 mt -64.17 -33.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 1.06 110.74 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.58 33.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.647 . . . . 0.58 111.16 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.8 -43.61 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.58 110.839 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.56 -51.05 39.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.63 110.837 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.12 -32.89 37.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.115 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.57 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.62 110.904 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.17 -36.46 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.43 111.03 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.883 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -67.85 -43.71 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 2.28 111.027 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.34 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.75 111.227 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 15.1 ptm180 -49.36 -44.07 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 2.89 110.367 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 1.38 109.937 179.146 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 24' ' ' ARG . 27.9 t -64.53 -44.47 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.059 -0.519 . . . . 0.79 110.106 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.39 -28.04 18.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.815 -0.629 . . . . 2.33 109.9 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -32.07 59.08 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.654 -0.703 . . . . 2.39 110.421 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 6' ' ' ILE . 33.6 p-80 -137.34 61.71 33.72 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.083 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.48 -30.06 5.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.592 2.195 . . . . 2.31 112.377 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.279 -0.867 . . . . 5.81 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.847 0.356 . . . . 4.94 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.43 44.17 2.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 3.04 112.515 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.69 -145.75 44.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 1.84 112.545 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -94.52 14.32 21.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.637 0.256 . . . . 2.71 111.362 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -52.23 -30.19 26.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 2.64 110.141 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.595 HG22 ' CE1' ' B' ' 31' ' ' HIS . 4.2 mt -80.09 -43.59 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.495 -0.775 . . . . 1.8 110.306 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.1 tp10 -56.07 -25.93 47.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.63 -0.714 . . . . 2.15 110.793 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.52 -44.95 40.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.14 0.495 . . . . 2.21 110.201 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -59.95 -43.64 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.841 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.468 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.0 pt -67.2 -42.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.95 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -47.36 -35.5 8.27 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.4 0.619 . . . . 1.48 109.931 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -47.57 71.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.869 . . . . 1.41 109.371 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.646 HG22 HD11 ' A' ' 17' ' ' ILE . 24.8 mt -60.25 -46.76 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.602 -0.726 . . . . 0.48 110.305 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.28 -32.86 7.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.988 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.36 -29.09 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.399 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.4 mt-10 -84.91 -33.46 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 2.07 111.031 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -65.19 -32.67 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.94 110.704 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.44 -37.37 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.66 111.239 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.4 -45.01 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.96 0.409 . . . . 1.79 110.822 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' B' ' 20' ' ' LEU . 7.3 mt -68.62 -50.12 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.63 110.905 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -50.4 -36.85 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.99 111.144 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.65 110.962 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.801 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.3 -33.28 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 1.53 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -74.37 -46.96 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 2.89 111.162 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -54.08 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.81 111.22 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -46.03 62.2 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 2.54 110.353 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -61.15 -35.56 77.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.104 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.4 t -65.25 -43.51 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.79 110.062 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -51.07 -31.71 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.888 -0.596 . . . . 2.23 109.719 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -72.73 -34.16 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.57 -0.741 . . . . 2.29 110.337 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.613 ' CE1' HG22 ' B' ' 6' ' ' ILE . 27.6 p-80 -137.26 67.28 54.13 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.221 -0.445 . . . . 2.47 110.998 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.13 -27.76 9.54 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.535 2.157 . . . . 2.23 112.395 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 5.58 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.788 0.327 . . . . 5.51 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.04 -168.11 31.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 3.11 112.476 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.36 -135.0 11.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 1.66 112.526 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -104.39 14.87 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.308 . . . . 2.59 111.424 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.02 -28.66 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 2.22 110.077 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 27' ' ' LEU . 22.0 mt -81.37 -44.68 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.435 -0.802 . . . . 1.57 110.225 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 -56.51 -23.48 39.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 1.94 110.884 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.86 -44.01 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.106 0.479 . . . . 2.22 110.373 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -40.64 91.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.756 -0.657 . . . . 2.37 110.801 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' B' ' 7' ' ' GLU . 16.5 pt -68.03 -42.65 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.11 111.172 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 37.8 t70 -49.23 -34.92 16.08 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.364 0.602 . . . . 1.51 109.957 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -47.44 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.363 -0.835 . . . . 1.44 109.201 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.0 mt -60.46 -46.29 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.412 -0.813 . . . . 0.55 110.152 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.901 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.4 t0 -48.33 -32.45 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 1.32 110.955 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -29.45 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 1.19 110.326 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.1 mt-10 -84.36 -33.99 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 2.03 111.039 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.88 -33.58 64.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 1.06 110.738 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.23 -37.16 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.58 111.26 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -43.98 69.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 1.58 111.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' A' ' 20' ' ' LEU . 10.1 mt -69.59 -49.55 52.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.967 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.45 -38.94 60.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 1.98 111.247 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.92 94.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.62 111.213 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.567 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -67.02 -33.99 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.09 -44.6 62.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 2.28 111.288 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -55.76 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.75 111.266 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -41.38 28.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 2.89 110.488 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.4 mt -65.59 -38.52 89.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.914 -0.585 . . . . 1.38 110.024 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.4 t -62.52 -46.23 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.254 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -52.1 -32.12 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 2.33 109.702 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.87 -32.21 71.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.64 -0.709 . . . . 2.39 110.224 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.595 ' CE1' HG22 ' A' ' 6' ' ' ILE . 28.6 p-80 -136.99 74.13 50.95 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-N 116.225 -0.443 . . . . 3.18 111.043 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.44 -27.64 22.99 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.538 2.159 . . . . 2.31 112.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.287 -0.863 . . . . 5.81 110.939 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.801 0.334 . . . . 4.94 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.82 75.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 3.04 112.47 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.01 -117.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 1.84 112.54 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -112.8 15.79 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 2.71 111.358 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -53.23 -28.54 27.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 2.64 110.116 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.611 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.1 mp -81.69 -44.96 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.502 -0.772 . . . . 1.8 110.342 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -25.75 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 2.15 110.821 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -78.95 -43.34 24.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.17 0.509 . . . . 2.21 110.284 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -37.82 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.665 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.54 HG23 ' CD2' ' B' ' 27' ' ' LEU . 18.3 pt -69.71 -43.16 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.95 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t70 -48.96 -34.97 14.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.399 0.619 . . . . 1.48 109.955 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.93 -47.66 71.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.37 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.2 mt -60.2 -46.04 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.549 -0.751 . . . . 0.48 110.23 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.937 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.7 t0 -48.38 -33.8 9.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 1.29 110.939 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.11 110.364 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.7 mm-40 -84.86 -34.05 22.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 2.07 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.51 -32.56 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.94 110.683 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.67 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.276 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -54.1 -44.2 71.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.982 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -68.87 -51.96 34.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.63 111.016 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -35.19 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.121 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.13 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.65 111.077 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.618 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -70.58 -35.74 73.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.071 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.887 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -69.89 -41.47 74.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 2.89 111.178 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -55.23 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.81 111.336 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 11.4 ptm180 -48.86 -41.56 33.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.01 0.433 . . . . 2.54 110.605 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER -65.37 -38.22 89.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.566 . . . . 1.35 110.059 179.253 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.1 t -61.99 -45.32 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.79 110.197 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -34.06 38.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 2.23 109.695 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' OE1' HD13 ' B' ' 6' ' ' ILE . 8.6 tt0 -67.6 -31.99 72.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.523 -0.762 . . . . 2.29 110.16 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.635 ' CE1' HG22 ' B' ' 6' ' ' ILE . 21.9 p-80 -139.56 75.21 32.54 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.267 -0.424 . . . . 2.47 111.001 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.71 -25.47 61.32 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.437 2.092 . . . . 2.23 112.442 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 5.58 110.919 179.888 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.853 0.358 . . . . 5.51 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.93 -96.34 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.708 -0.758 . . . . 3.11 112.517 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.48 -101.09 0.72 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 1.66 112.538 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.3 14.32 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 2.59 111.353 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -28.18 24.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.215 0.531 . . . . 2.22 110.117 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.635 HG22 ' CE1' ' A' ' 31' ' ' HIS . 25.2 mt -80.16 -44.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.439 -0.8 . . . . 1.57 110.39 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.44 -29.87 62.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.572 -0.74 . . . . 1.94 110.826 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -77.82 -41.52 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 2.22 110.259 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.68 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 2.37 110.783 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.62 -43.42 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.184 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.6 t0 -48.37 -34.53 10.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.398 0.618 . . . . 1.51 109.871 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.51 -48.22 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.831 . . . . 1.44 109.603 178.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 37.2 mt -60.57 -47.8 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.704 . . . . 0.55 110.374 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.932 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.31 -33.1 8.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 1.32 111.02 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.37 -28.46 59.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.349 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.84 -34.23 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 2.03 110.889 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.14 -33.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 1.06 110.689 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -37.41 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.635 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.82 -44.51 70.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 1.58 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -68.6 -50.66 49.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.63 111.01 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.14 -40.61 46.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 1.98 111.231 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.62 110.916 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.16 -35.33 80.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 1.43 111.033 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.92 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.7 -44.79 61.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 2.28 111.278 -179.685 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -56.73 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.75 111.349 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.638 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.79 -42.83 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.121 0.486 . . . . 2.89 110.487 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.638 HD12 ' HD2' ' B' ' 26' ' ' ARG . 0.3 OUTLIER -63.26 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 1.38 109.93 179.055 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 24' ' ' ARG . 47.3 t -60.55 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.79 110.198 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -33.79 43.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.623 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.83 -30.51 69.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.46 -0.791 . . . . 2.39 110.308 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.611 ' CE1' HG22 ' A' ' 6' ' ' ILE . 24.5 p-80 -140.05 79.82 21.58 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.256 -0.429 . . . . 3.18 110.903 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.31 -26.43 48.71 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.603 2.202 . . . . 2.31 112.371 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.162 -0.923 . . . . 5.81 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.784 0.326 . . . . 4.94 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.17 160.35 46.03 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.753 -0.736 . . . . 3.04 112.473 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.55 -107.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 1.84 112.466 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.43 14.83 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.648 0.261 . . . . 2.71 111.283 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.4 -28.87 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.178 0.513 . . . . 2.64 110.085 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.734 HD12 ' HB3' ' B' ' 31' ' ' HIS . 24.3 mt -79.4 -44.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.435 -0.802 . . . . 1.8 110.283 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.8 tt0 -54.64 -27.48 39.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.657 -0.701 . . . . 2.15 110.645 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -76.7 -41.56 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 2.21 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.796 -0.638 . . . . 2.42 110.778 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.3 pt -70.58 -43.32 77.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.95 111.161 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t70 -49.61 -34.6 18.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.425 0.631 . . . . 1.48 109.86 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 4.4 m-20 -67.04 -46.36 74.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.243 -0.889 . . . . 1.41 109.183 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.3 mt -60.03 -46.31 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.096 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.62 -33.76 10.44 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.248 -0.433 . . . . 1.29 111.024 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.66 -28.3 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.11 110.389 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.0 mt-10 -85.24 -34.36 21.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 2.07 111.05 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.02 -32.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.792 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -39.74 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.693 -0.685 . . . . 0.66 111.315 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.83 -42.75 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.79 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.94 -54.23 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.63 111.046 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -51.98 -33.49 38.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 1.99 111.264 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.74 63.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.65 111.226 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.71 -35.42 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.53 111.173 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -66.77 -44.55 81.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 2.89 111.303 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -57.4 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.81 111.175 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -39.5 25.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 2.54 110.418 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 HG23 ' B' ' 6' ' ' ILE . 12.9 mt -66.63 -39.85 88.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.073 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.4 t -60.37 -47.51 92.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.314 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -33.18 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 2.23 109.658 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -66.86 -31.32 71.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.585 -0.734 . . . . 2.29 110.271 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.0 p-80 -137.87 86.0 18.87 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.283 -0.417 . . . . 2.47 111.045 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.75 -21.13 39.02 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.546 2.164 . . . . 2.23 112.435 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 5.58 110.947 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.806 0.336 . . . . 5.51 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.09 -80.99 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 3.11 112.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.51 -125.49 8.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 1.66 112.529 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -93.74 14.51 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 2.59 111.383 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -52.86 -28.53 23.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.195 0.521 . . . . 2.22 110.176 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -81.5 -43.92 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.485 -0.78 . . . . 1.57 110.428 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.02 -30.64 62.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.673 -0.694 . . . . 1.94 110.672 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.34 -40.53 43.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 2.22 110.286 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -63.04 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 2.37 110.692 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 11' ' ' ASP . 21.7 pt -71.02 -43.64 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.277 -0.42 . . . . 1.11 111.208 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.438 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t0 -50.28 -34.25 22.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.324 0.583 . . . . 1.51 109.882 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.381 -0.827 . . . . 1.44 109.209 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.65 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.99 -45.58 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.162 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.3 t0 -48.74 -33.59 10.53 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.941 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -28.39 60.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 1.19 110.398 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.28 -33.33 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.964 -0.562 . . . . 2.03 111.068 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -64.65 -33.26 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.153 0.501 . . . . 1.06 110.719 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -38.04 34.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 0.58 111.2 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -43.67 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 1.58 111.048 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.53 -52.87 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.63 111.039 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -36.58 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 1.98 111.163 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -28.55 63.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.065 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.685 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.26 -34.94 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.43 111.129 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.7 -45.46 71.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.263 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -55.3 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.375 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.49 -45.01 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 2.89 110.379 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -61.17 -38.19 85.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 1.38 109.951 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.8 t -63.34 -44.83 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 116.205 -0.452 . . . . 0.79 110.104 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -52.15 -28.1 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.856 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.83 -30.67 56.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.727 -0.669 . . . . 2.39 110.502 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.734 ' HB3' HD12 ' A' ' 6' ' ' ILE . 31.4 p-80 -138.3 60.36 21.41 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-O 120.853 0.359 . . . . 3.18 111.055 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.77 -32.18 2.13 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.674 2.249 . . . . 2.31 112.367 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.242 -0.885 . . . . 5.81 110.939 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.886 0.374 . . . . 4.94 111.186 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.2 -78.49 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 3.04 112.45 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.16 93.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.769 -0.729 . . . . 1.84 112.231 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -158.86 -80.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.165 0.507 . . . . 2.71 110.963 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -144.67 -43.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.428 -0.805 . . . . 2.64 109.35 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.32 -51.49 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 1.8 109.558 178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.86 -33.73 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.188 -0.915 . . . . 2.15 110.907 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.53 -34.64 47.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 2.21 110.324 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.83 83.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.849 -0.614 . . . . 2.42 110.807 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.0 pt -70.55 -43.15 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.084 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.29 -34.73 10.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.39 0.614 . . . . 1.48 109.882 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -67.65 -48.18 67.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.328 -0.851 . . . . 1.41 109.485 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.668 HG22 HD11 ' A' ' 17' ' ' ILE . 35.5 mt -59.68 -47.56 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 0.48 110.342 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.954 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.46 -32.98 8.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.366 -0.379 . . . . 1.29 111.026 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.17 -28.3 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.406 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.8 mt-10 -85.19 -35.06 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.0 -33.42 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.94 110.652 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -36.79 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.247 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -44.29 73.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.997 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.32 -51.17 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.63 111.015 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -38.03 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.21 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.92 72.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.222 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -33.63 69.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 1.53 111.098 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.881 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.9 ttt-85 -73.2 -43.91 60.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 2.89 111.158 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.43 65.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 0.81 111.249 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -50.53 -45.86 56.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 2.54 110.457 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.885 HD12 HG23 ' B' ' 6' ' ' ILE . 1.8 mm? -61.56 -36.41 80.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.966 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 24' ' ' ARG . 24.0 t -65.61 -43.69 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 116.16 -0.473 . . . . 0.79 110.163 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -52.62 -28.45 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 2.23 109.887 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -76.88 -31.42 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.72 -0.673 . . . . 2.29 110.469 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.712 ' HB3' HD12 ' B' ' 6' ' ' ILE . 26.3 p-80 -137.89 60.23 23.0 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.868 0.366 . . . . 2.47 111.079 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.62 -30.46 3.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.599 2.199 . . . . 2.23 112.371 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 5.58 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.772 0.32 . . . . 5.51 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.01 -152.19 23.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 3.11 112.52 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.82 -149.77 28.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 1.66 112.488 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -93.37 14.11 19.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.681 0.276 . . . . 2.59 111.324 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -28.73 24.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.192 0.52 . . . . 2.22 110.109 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.885 HG23 HD12 ' A' ' 27' ' ' LEU . 25.6 mt -79.64 -44.76 23.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 1.57 110.334 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.479 ' HA ' HD11 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -55.35 -26.84 43.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.603 -0.726 . . . . 1.94 110.735 179.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.38 -42.32 54.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.486 . . . . 2.22 110.189 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -61.78 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 2.37 110.756 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.479 HD11 ' HA ' ' B' ' 7' ' ' GLU . 13.0 pt -68.35 -42.57 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 1.11 111.156 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.41 -35.81 8.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.417 0.627 . . . . 1.51 109.839 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 3.5 m-20 -66.79 -47.32 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 1.44 109.388 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 mt -60.42 -47.33 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.709 . . . . 0.55 110.331 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.14 -32.77 7.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 1.32 111.043 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -28.91 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.19 110.398 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.1 mt-10 -84.88 -33.46 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.582 . . . . 2.03 110.926 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -64.86 -33.36 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 1.06 110.78 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -36.65 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.58 111.218 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.04 -44.0 70.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.97 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -69.51 -50.99 39.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.63 110.915 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -52.17 -30.95 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.98 111.118 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.93 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.62 111.007 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.86 ' O ' HD23 ' B' ' 27' ' ' LEU . 13.9 mtpt -72.38 -32.68 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 1.43 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -70.52 -42.07 71.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 2.28 110.986 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -57.21 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.75 111.351 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.478 ' CD ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -48.59 -35.53 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.387 . . . . 2.89 110.64 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.86 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.5 mm? -70.0 -39.1 76.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 1.38 109.804 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.1 t -62.87 -45.69 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.79 110.193 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.9 -33.47 50.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.718 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.282 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 6' ' ' ILE . 56.3 p-80 -141.63 73.05 24.57 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-N 116.328 -0.396 . . . . 3.18 111.039 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.65 -28.44 11.76 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.574 2.182 . . . . 2.31 112.374 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.89 . . . . 5.81 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.799 0.333 . . . . 4.94 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.57 -121.63 1.07 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.721 -0.752 . . . . 3.04 112.519 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.18 -126.82 8.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 1.84 112.502 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -93.68 14.91 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.293 . . . . 2.71 111.364 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.63 -27.32 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 2.64 110.131 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.647 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.9 mt -81.43 -45.16 20.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.396 -0.82 . . . . 1.8 110.278 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 41.3 tt0 -56.89 -26.61 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.556 -0.747 . . . . 2.15 110.942 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.38 -39.49 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.028 0.442 . . . . 2.21 110.329 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -62.53 -37.88 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 2.42 110.808 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -70.85 -43.02 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.95 111.212 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t0 -50.61 -34.34 25.63 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.265 0.555 . . . . 1.48 109.918 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -45.9 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.324 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' B' ' 23' ' ' LYS . 35.3 mt -60.97 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.385 -0.825 . . . . 0.48 110.171 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 13.0 t0 -48.56 -33.56 9.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.972 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.85 -28.69 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.11 110.351 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -84.67 -34.42 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.933 -0.576 . . . . 2.07 110.924 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.38 -32.24 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.94 110.712 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -37.02 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.66 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.42 -43.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.969 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -70.03 -51.51 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.3 -33.28 28.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 1.99 111.191 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.08 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.65 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -74.54 -31.86 62.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.53 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.862 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -72.52 -44.67 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.118 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -56.62 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.81 111.28 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -47.98 -39.06 18.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.071 0.462 . . . . 2.54 110.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.609 HD22 HG23 ' B' ' 6' ' ' ILE . 13.6 mt -66.02 -40.27 90.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 1.35 109.758 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 24' ' ' ARG . 32.4 t -61.59 -46.84 95.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.021 -0.536 . . . . 0.79 110.224 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.76 -31.69 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 2.23 109.78 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -32.42 71.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.212 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 6' ' ' ILE . 28.9 p-80 -135.9 73.72 59.13 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-N 116.253 -0.43 . . . . 2.47 110.934 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.91 172.6 13.44 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.627 2.218 . . . . 2.23 112.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 5.58 110.873 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 5.51 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.53 165.6 26.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 3.11 112.459 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.91 -100.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 1.66 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -98.13 14.31 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 2.59 111.37 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -28.56 22.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.15 0.5 . . . . 2.22 110.105 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.0 mt -81.2 -44.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 1.57 110.375 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.9 -28.1 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.685 -0.689 . . . . 1.94 110.771 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -43.14 25.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 2.22 110.126 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -60.64 -36.03 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 2.37 110.79 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.3 pt -71.53 -43.56 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 1.11 111.152 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.64 -34.76 12.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.445 0.641 . . . . 1.51 109.781 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 7.3 m-20 -67.51 -47.37 70.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.281 -0.872 . . . . 1.44 109.46 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 27' ' ' LEU . 24.7 mt -60.03 -47.11 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.389 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.938 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -49.06 -33.07 10.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.294 -0.412 . . . . 1.32 111.004 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -74.67 -28.21 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.318 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.3 mt-10 -84.67 -34.88 22.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 2.03 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' B' ' 14' ' ' ASP . 12.5 mt -63.37 -32.58 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 1.06 110.815 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.35 -37.96 31.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.58 111.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.16 -43.69 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 1.58 111.037 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 20' ' ' LEU . 10.2 mt -69.35 -52.22 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.037 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -37.23 39.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.98 111.195 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -33.5 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.62 111.018 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -67.64 -36.19 80.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 1.43 111.016 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.38 -42.99 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.22 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -56.7 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.75 111.219 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 3.5 ptm180 -49.93 -37.05 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.06 0.457 . . . . 2.89 110.717 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.634 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.7 OUTLIER -69.43 -37.57 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 1.38 109.926 179.087 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.0 t -62.62 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.79 109.971 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.402 ' O ' ' HD3' ' B' ' 32' ' ' PRO . 3.4 mp0 -54.2 -30.98 51.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 2.33 109.504 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -72.83 -29.82 63.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.707 . . . . 2.39 110.458 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.647 ' CE1' HG22 ' A' ' 6' ' ' ILE . 42.2 p-80 -144.57 63.91 11.28 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.356 -0.384 . . . . 3.18 111.06 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' B' ' 29' ' ' GLN . 80.9 Cg_endo -78.23 -33.24 2.04 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.612 2.208 . . . . 2.31 112.421 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 5.81 110.877 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.815 0.341 . . . . 4.94 111.143 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.14 -135.67 13.13 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.729 -0.748 . . . . 3.04 112.488 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.85 33.11 42.42 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.701 -0.761 . . . . 1.84 112.063 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -121.49 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.002 0.43 . . . . 2.71 111.167 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.62 -45.18 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 2.64 109.542 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.0 mt -64.3 -51.71 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.555 -0.748 . . . . 1.8 109.641 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -54.07 -34.79 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.07 -0.968 . . . . 2.15 111.164 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -76.19 -36.68 58.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 2.21 110.725 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -57.71 -44.95 86.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.991 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' NH2' ' B' ' 24' ' ' ARG . 12.9 pt -67.92 -42.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 0.95 111.26 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -46.65 -35.62 6.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.47 0.652 . . . . 1.48 110.056 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.4 t70 -67.98 -47.77 67.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 1.41 109.492 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 17' ' ' ILE . 31.2 mt -60.36 -48.46 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 0.48 110.521 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.96 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.02 -33.23 7.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 1.29 111.176 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 1.11 110.388 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.77 -34.41 22.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.875 -0.602 . . . . 2.07 110.936 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.2 mt -63.89 -34.09 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.996 -0.547 . . . . 0.94 110.738 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.5 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.673 -0.694 . . . . 0.66 111.274 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.05 -48.17 73.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 1.79 110.837 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' B' ' 20' ' ' LEU . 7.9 mt -63.69 -53.45 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.883 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -47.97 -30.1 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 1.99 111.102 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.77 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.65 110.999 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB2' HD13 ' B' ' 13' ' ' ILE . 55.1 mmtt -68.41 -31.8 71.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 1.53 110.967 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -72.74 -43.33 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 2.89 111.213 -179.696 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -55.52 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.81 111.343 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -48.85 -43.59 38.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 2.54 110.598 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -63.2 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.763 -0.653 . . . . 1.35 110.078 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.1 t -61.01 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 0.79 110.22 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -52.46 -33.95 46.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 2.23 109.688 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.71 -31.19 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.522 -0.763 . . . . 2.29 110.186 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.625 ' CE1' HG22 ' B' ' 6' ' ' ILE . 15.6 p-80 -139.8 80.84 20.39 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.926 0.393 . . . . 2.47 110.972 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.29 -27.24 28.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 2.23 112.315 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 5.58 110.879 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 5.51 110.938 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.6 -27.9 16.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.791 -0.719 . . . . 3.11 112.472 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.1 -103.81 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.688 -0.768 . . . . 1.66 112.581 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.04 13.87 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 2.59 111.345 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.16 -28.93 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.521 . . . . 2.22 110.11 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.625 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.1 mt -82.05 -44.12 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.473 -0.785 . . . . 1.57 110.321 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -28.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.765 -0.652 . . . . 1.94 110.692 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -79.74 -43.35 22.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 2.22 110.083 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -60.16 -34.84 74.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.662 -0.699 . . . . 2.37 110.765 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.7 pt -72.49 -43.5 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 1.11 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.14 -34.56 10.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.382 0.611 . . . . 1.51 109.852 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 42.4 m-20 -67.99 -49.27 62.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 1.44 109.651 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.743 HG22 HD11 ' B' ' 17' ' ' ILE . 40.0 mt -59.82 -48.18 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.772 -0.649 . . . . 0.55 110.43 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -32.77 8.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.338 -0.392 . . . . 1.32 111.088 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -75.19 -28.14 59.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.319 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -85.22 -35.61 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 2.03 110.903 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.0 mt -62.96 -32.95 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.778 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.49 -38.06 30.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.58 111.132 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -53.52 -42.9 67.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 1.58 110.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' A' ' 20' ' ' LEU . 12.2 mt -70.02 -50.27 43.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.9 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.89 -41.46 58.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.172 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -34.61 78.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.159 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' A' ' 13' ' ' ILE . 1.5 mtpm? -68.71 -35.57 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 1.43 111.113 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.901 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.03 -40.67 68.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 2.28 111.125 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.96 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.75 111.403 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.407 ' CZ ' ' CD2' ' B' ' 27' ' ' LEU . 1.3 ptm180 -50.43 -42.57 54.15 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.898 0.38 . . . . 2.89 110.613 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.483 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.4 mm? -63.82 -36.03 82.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 1.38 110.01 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.0 t -65.16 -45.38 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.79 110.4 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.09 -33.41 26.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.969 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.47 -32.11 67.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 2.39 110.359 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 6' ' ' ILE . 50.0 p-80 -142.13 67.49 21.71 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.18 111.017 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -84.27 -164.07 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.931 2.421 . . . . 2.31 112.152 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.211 -0.899 . . . . 5.81 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.364 . . . . 4.94 111.138 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.17 -138.95 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.762 -0.732 . . . . 3.04 112.509 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.76 31.41 46.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 1.84 112.021 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -118.07 -83.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.058 0.456 . . . . 2.71 111.129 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -146.63 -44.09 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 2.64 109.587 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG22 HD23 ' B' ' 27' ' ' LEU . 1.6 mt -66.44 -52.63 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.551 -0.749 . . . . 1.8 109.683 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -53.01 -34.51 56.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.132 -0.94 . . . . 2.15 111.041 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.21 -35.68 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 2.21 110.538 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' HE3' HD21 ' B' ' 27' ' ' LEU . 8.6 ttpt -57.93 -40.87 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 2.42 110.807 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.551 HG23 HD22 ' B' ' 27' ' ' LEU . 15.3 pt -69.61 -43.18 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.95 111.167 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -34.98 5.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.399 0.619 . . . . 1.48 109.998 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.9 -50.09 58.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.331 -0.849 . . . . 1.41 109.643 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -58.81 -47.75 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.48 110.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.64 -32.96 9.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.353 -0.385 . . . . 1.29 110.966 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.0 -28.09 60.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.11 110.361 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.4 mt-10 -85.77 -34.25 21.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.96 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -64.4 -32.35 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.635 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -37.0 28.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.66 111.149 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.79 -43.41 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' B' ' 20' ' ' LEU . 7.8 mt -70.66 -50.79 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.63 110.954 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -52.4 -32.18 37.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.109 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.93 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.65 111.002 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -71.37 -32.44 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 1.53 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.9 ttt-85 -72.03 -40.61 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 2.89 111.037 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -57.69 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.321 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.38 -37.94 18.13 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.044 0.449 . . . . 2.54 110.601 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp -66.62 -40.07 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 1.35 109.708 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 24' ' ' ARG . 41.1 t -60.81 -45.3 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 CA-C-N 115.96 -0.564 . . . . 0.79 110.208 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -51.98 -33.69 39.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 2.23 109.655 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.457 ' O ' ' NE2' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -67.35 -32.59 73.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.554 -0.748 . . . . 2.29 110.12 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.664 ' CE1' HG22 ' B' ' 6' ' ' ILE . 27.9 p-80 -136.12 75.92 52.58 Favored Pre-proline 0 C--N 1.333 -0.124 0 CA-C-N 116.348 -0.387 . . . . 2.47 110.908 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.67 -27.82 31.75 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.217 . . . . 2.23 112.336 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 5.58 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 5.51 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.71 152.18 23.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.676 -0.774 . . . . 3.11 112.494 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.69 -118.46 9.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.669 -0.777 . . . . 1.66 112.525 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 13.29 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.264 . . . . 2.59 111.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -27.99 20.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 2.22 110.069 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.664 HG22 ' CE1' ' A' ' 31' ' ' HIS . 21.3 mt -79.02 -44.42 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 1.57 110.111 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -58.05 -29.91 65.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.566 -0.743 . . . . 1.94 110.757 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -40.04 24.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.164 0.507 . . . . 2.22 110.075 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -35.05 75.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 2.37 110.72 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.511 HG23 HD23 ' A' ' 27' ' ' LEU . 17.2 pt -71.79 -43.74 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 1.11 111.225 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.66 -35.02 12.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.447 0.641 . . . . 1.51 109.795 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.21 -46.57 73.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.315 -0.857 . . . . 1.44 109.49 178.763 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 34.2 mt -61.42 -47.46 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.582 -0.736 . . . . 0.55 110.298 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.11 -32.67 7.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.417 . . . . 1.32 111.106 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.22 -29.04 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.43 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.59 -32.97 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.893 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -65.23 -34.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.663 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.25 -36.06 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.309 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -47.83 72.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 1.58 110.787 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 20' ' ' LEU . 9.4 mt -63.73 -51.31 65.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.856 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -49.33 -30.38 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.98 111.126 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.82 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.62 111.015 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.493 ' HB2' HD13 ' A' ' 13' ' ' ILE . 6.0 mmtp -66.94 -31.52 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.43 111.011 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.88 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.72 -44.76 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.097 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -54.05 45.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.75 111.234 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.45 ' CD ' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -50.24 -43.67 53.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 2.89 110.512 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.608 HD21 ' HE3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.11 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 1.38 110.081 179.114 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.2 t -62.99 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.173 -0.467 . . . . 0.79 110.425 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.93 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.995 -0.548 . . . . 2.33 109.887 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -71.45 -29.86 65.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.584 -0.735 . . . . 2.39 110.403 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' A' ' 6' ' ' ILE . 52.8 p-80 -144.22 71.57 16.27 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.291 -0.413 . . . . 3.18 111.004 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.01 -29.39 18.0 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.466 2.111 . . . . 2.31 112.208 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.17 -0.919 . . . . 5.81 110.932 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.799 0.333 . . . . 4.94 111.191 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.23 25.99 3.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.715 -0.755 . . . . 3.04 112.55 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.21 25.59 57.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 1.84 112.7 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 61.27 18.47 9.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.753 0.311 . . . . 2.71 111.394 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -27.63 45.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.139 0.495 . . . . 2.64 110.123 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.0 mt -81.21 -46.1 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.571 -0.74 . . . . 1.8 110.287 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.05 -24.7 41.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.653 -0.703 . . . . 2.15 110.756 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -80.91 -40.83 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 2.21 110.139 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -36.01 79.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.767 -0.651 . . . . 2.42 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -70.59 -42.8 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.95 110.997 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -50.52 -34.33 24.91 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.339 0.59 . . . . 1.48 109.811 179.484 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -67.07 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.304 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.2 mt -61.11 -46.37 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.508 -0.769 . . . . 0.48 110.134 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.94 -32.57 9.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.888 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.58 -28.34 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 1.11 110.35 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.01 -34.2 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 2.07 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.49 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.94 110.727 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.94 33.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 0.66 111.17 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.93 -42.9 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.79 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' B' ' 20' ' ' LEU . 8.0 mt -70.92 -49.87 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.63 110.932 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG2' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -51.33 -38.27 52.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 1.99 111.217 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.88 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.65 111.08 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -68.38 -34.47 76.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 1.53 110.99 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 ttt-85 -73.28 -43.32 61.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 2.89 111.194 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -55.44 23.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.218 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -43.29 39.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 2.54 110.42 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD22 HG23 ' B' ' 6' ' ' ILE . 11.7 mt -62.56 -37.78 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.744 -0.662 . . . . 1.35 110.019 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 24' ' ' ARG . 37.0 t -64.25 -45.89 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 CA-C-N 116.025 -0.534 . . . . 0.79 110.194 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.93 -28.63 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 2.23 109.942 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.5 -31.43 60.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 2.29 110.39 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' B' ' 6' ' ' ILE . 34.8 p-80 -138.84 63.7 32.62 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.326 -0.397 . . . . 2.47 111.032 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.06 -27.39 29.87 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.549 2.166 . . . . 2.23 112.397 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 5.58 110.856 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.81 0.338 . . . . 5.51 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.79 152.78 10.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 3.11 112.456 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.05 92.15 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 1.66 112.466 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 63.52 16.16 9.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.65 0.262 . . . . 2.59 111.349 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -28.47 48.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 2.22 109.972 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.5 mp -75.18 -46.78 38.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 1.57 110.335 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' HD11 ' B' ' 10' ' ' ILE . 3.8 tt0 -56.09 -27.42 53.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.686 . . . . 1.94 110.769 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -42.67 32.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.469 . . . . 2.22 110.243 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -39.48 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.714 -0.675 . . . . 2.37 110.667 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' B' ' 11' ' ' ASP . 16.2 pt -69.32 -42.84 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.11 111.065 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.5 t70 -48.86 -34.83 13.34 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.451 0.643 . . . . 1.51 109.875 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 51.5 m-20 -67.02 -46.43 74.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.431 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' B' ' 17' ' ' ILE . 33.1 mt -61.17 -47.04 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.346 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.3 -32.98 8.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 1.32 110.995 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.01 -28.79 57.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 1.19 110.446 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -84.32 -33.38 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 2.03 110.817 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.75 -34.07 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 1.06 110.671 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.69 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.311 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -45.37 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 1.58 110.97 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' A' ' 20' ' ' LEU . 9.6 mt -67.38 -50.85 58.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.63 110.938 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -50.52 -36.41 34.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.98 111.157 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.45 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.62 110.863 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -68.77 -35.58 77.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 1.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -69.4 -43.14 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 2.28 111.141 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -56.16 18.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.307 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 7.0 ptp180 -49.64 -40.12 38.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.032 0.444 . . . . 2.89 110.516 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.476 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 1.0 OUTLIER -65.6 -38.76 90.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.006 -0.543 . . . . 1.38 109.798 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.5 t -62.48 -45.64 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.065 -0.516 . . . . 0.79 110.128 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -30.02 22.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 2.33 109.702 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -73.53 -31.59 63.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.505 179.166 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.622 ' CE1' HG22 ' A' ' 6' ' ' ILE . 34.5 p-80 -138.98 64.16 33.22 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.326 -0.397 . . . . 3.18 110.974 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -83.04 -29.75 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.7 2.267 . . . . 2.31 112.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.231 -0.89 . . . . 5.81 110.879 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.858 0.361 . . . . 4.94 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.26 -145.42 8.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.777 -0.725 . . . . 3.04 112.497 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.05 41.17 21.63 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.854 -0.689 . . . . 1.84 112.319 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.39 -84.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.471 . . . . 2.71 111.179 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -144.33 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 2.64 109.595 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -64.8 -50.88 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 1.8 109.719 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.93 -35.44 58.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.226 -0.897 . . . . 2.15 111.099 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.92 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 2.21 110.573 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -59.34 -41.09 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 2.42 110.97 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -69.24 -43.45 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.95 111.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 m-20 -47.99 -34.69 9.7 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.307 0.575 . . . . 1.48 109.978 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.1 t70 -67.41 -48.48 67.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 1.41 109.52 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 17' ' ' ILE . 35.4 mt -60.15 -48.51 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.62 -0.718 . . . . 0.48 110.365 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.0 -32.05 6.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.295 -0.411 . . . . 1.29 111.16 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -29.01 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.391 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.3 mt-10 -84.43 -35.49 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 2.07 110.916 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -63.52 -34.02 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 0.94 110.711 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.23 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.67 -0.695 . . . . 0.66 111.348 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.02 -50.09 69.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 1.79 110.688 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -61.55 -50.87 70.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.63 110.876 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.85 8.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 1.99 110.928 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -32.13 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.695 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.821 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.4 mmtp -66.0 -35.98 82.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 1.53 110.776 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.943 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 mtp180 -73.13 -46.19 52.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 2.89 111.31 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -53.0 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.81 111.217 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.7 ptp180 -52.39 -44.58 65.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 2.54 110.514 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.69 -34.44 77.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.375 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 24' ' ' ARG . 46.3 t -62.51 -47.03 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.025 0.44 . . . . 0.79 110.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -34.48 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.23 109.622 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -31.04 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 2.29 110.243 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.688 ' CE1' HG22 ' B' ' 6' ' ' ILE . 33.2 p-80 -147.24 83.59 7.73 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-N 116.266 -0.425 . . . . 2.47 110.984 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.4 -24.77 56.83 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.521 2.148 . . . . 2.23 112.371 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 5.58 110.997 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.863 0.364 . . . . 5.51 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.43 67.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 3.11 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.48 -162.64 54.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 1.66 112.449 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -95.73 13.84 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.666 0.269 . . . . 2.59 111.366 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -27.74 20.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.51 . . . . 2.22 110.101 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.688 HG22 ' CE1' ' A' ' 31' ' ' HIS . 24.8 mt -81.32 -44.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.376 -0.829 . . . . 1.57 110.338 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.39 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.642 -0.708 . . . . 1.94 110.964 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.21 -39.44 54.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.092 0.472 . . . . 2.22 110.375 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -61.51 -38.0 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.836 -0.62 . . . . 2.37 110.887 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.426 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.0 pt -71.64 -43.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.11 111.227 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.426 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.56 -34.25 17.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.336 0.589 . . . . 1.51 109.914 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -48.74 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 1.44 109.527 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 20.4 mt -59.63 -47.84 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.548 -0.751 . . . . 0.55 110.407 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.6 -32.19 7.77 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.32 110.977 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -28.77 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 1.19 110.313 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.3 mt-10 -85.08 -36.07 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 2.03 111.077 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -62.87 -33.11 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 1.06 110.765 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 -36.79 32.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.58 111.213 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.92 -44.74 70.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.817 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -68.71 -49.92 54.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.63 110.764 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -50.73 -34.01 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 1.98 111.034 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.48 -35.11 70.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.62 110.861 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.542 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.9 mtpt -68.03 -35.33 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.43 110.983 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.886 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -70.2 -42.76 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 2.28 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -53.09 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.212 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -50.19 -43.8 52.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.06 0.457 . . . . 2.89 110.606 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.4 mm? -63.17 -35.55 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 1.38 110.103 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -65.51 -44.31 94.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.79 110.227 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -30.98 33.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.927 -0.579 . . . . 2.33 109.853 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -74.13 -30.68 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.672 -0.694 . . . . 2.39 110.303 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.7 p-80 -143.31 64.88 14.5 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-N 116.235 -0.439 . . . . 3.18 111.039 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.98 -39.19 1.84 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.63 2.22 . . . . 2.31 112.344 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.155 -0.926 . . . . 5.81 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.842 0.353 . . . . 4.94 111.161 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.22 68.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.664 -0.779 . . . . 3.04 112.473 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.79 -96.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.84 112.469 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.07 14.26 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 2.71 111.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -27.83 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.248 0.547 . . . . 2.64 110.092 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.655 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.3 mt -80.68 -44.53 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 115.462 -0.79 . . . . 1.8 110.27 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.28 -30.98 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 2.15 110.788 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.32 -39.46 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 2.21 110.202 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -61.83 -36.59 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.635 -0.711 . . . . 2.42 110.734 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.6 pt -71.04 -43.5 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.95 111.102 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.44 -34.14 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.367 0.603 . . . . 1.48 109.827 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.5 m-20 -67.62 -46.62 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.333 -0.849 . . . . 1.41 109.481 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -61.56 -48.15 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.48 110.381 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.22 -32.22 6.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.421 . . . . 1.29 111.011 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -29.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 1.11 110.396 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.7 mm-40 -84.57 -33.59 23.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 2.07 110.966 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.83 -34.44 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.65 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.03 -36.55 40.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.755 -0.657 . . . . 0.66 111.27 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -45.2 71.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.86 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -67.41 -50.56 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.63 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -52.57 -30.96 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 1.99 111.141 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -33.4 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.65 111.055 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.47 -32.21 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.53 111.076 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.7 -45.14 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 2.89 111.039 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -54.54 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.115 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.7 ptm180 -50.92 -43.17 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 2.54 110.464 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.7 mt -62.9 -36.09 82.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 1.35 110.019 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.9 t -66.11 -44.48 91.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.132 -0.485 . . . . 0.79 110.128 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.73 -29.84 20.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.907 -0.588 . . . . 2.23 110.016 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.9 -32.02 59.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 2.29 110.411 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CE1' HG22 ' B' ' 6' ' ' ILE . 52.5 p-80 -139.04 61.1 19.71 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.316 -0.402 . . . . 2.47 111.063 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.07 -30.45 2.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.66 2.24 . . . . 2.23 112.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 5.58 110.86 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.83 0.348 . . . . 5.51 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.57 -106.16 1.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.783 -0.722 . . . . 3.11 112.515 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.23 45.09 21.06 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.852 -0.689 . . . . 1.66 112.262 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -129.47 -84.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.118 0.485 . . . . 2.59 111.059 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.29 -44.26 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.22 109.345 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.543 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mt -63.14 -48.71 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 115.6 -0.727 . . . . 1.57 109.77 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -30.05 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.225 -0.898 . . . . 1.94 111.063 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.06 -35.42 42.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 2.22 110.404 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -38.12 87.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 2.37 110.757 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.3 pt -70.96 -43.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.11 111.14 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' B' ' 10' ' ' ILE . 26.5 t0 -49.97 -34.46 20.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.356 0.598 . . . . 1.51 109.922 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.03 -47.58 70.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.421 -0.809 . . . . 1.44 109.311 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.709 HG22 HD11 ' B' ' 17' ' ' ILE . 18.4 mt -60.12 -46.73 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.411 -0.813 . . . . 0.55 110.216 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -48.57 -32.57 8.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.34 -0.391 . . . . 1.32 110.892 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -28.64 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 1.19 110.359 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.7 mt-10 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.921 -0.581 . . . . 2.03 111.02 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.57 -33.75 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 1.06 110.713 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.78 -36.82 36.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.25 -44.97 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.871 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' A' ' 20' ' ' LEU . 6.0 mt -67.74 -51.18 52.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.63 110.901 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -50.22 -31.76 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 1.98 111.154 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.92 -36.73 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.021 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -68.47 -31.14 70.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 1.43 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.864 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -73.15 -42.66 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 2.28 110.929 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -56.45 12.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.75 111.268 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -40.28 26.77 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.976 0.417 . . . . 2.89 110.468 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 13' ' ' ILE . 18.9 mt -64.69 -39.23 93.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 1.38 109.84 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -62.41 -45.23 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.79 110.171 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -52.32 -31.3 32.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 2.33 109.731 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 2.39 110.168 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.655 ' CE1' HG22 ' A' ' 6' ' ' ILE . 28.4 p-80 -139.13 71.71 40.2 Favored Pre-proline 0 C--O 1.232 0.157 0 CA-C-N 116.306 -0.406 . . . . 3.18 111.001 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.53 -26.25 16.94 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.618 2.212 . . . . 2.31 112.359 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.226 -0.892 . . . . 5.81 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.826 0.346 . . . . 4.94 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.63 37.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 3.04 112.489 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -153.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 1.84 112.43 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.24 11.58 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.627 0.251 . . . . 2.71 111.409 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -51.84 -30.09 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.243 0.544 . . . . 2.64 110.018 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.5 mt -76.39 -44.14 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.409 -0.814 . . . . 1.8 110.155 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -30.19 62.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.582 -0.736 . . . . 2.15 110.658 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.85 26.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 2.21 110.089 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -35.13 77.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.638 -0.71 . . . . 2.42 110.737 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 21.0 pt -71.55 -43.79 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.95 111.198 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 3.3 t0 -50.0 -34.8 22.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.39 0.614 . . . . 1.48 109.776 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.82 -46.39 75.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.302 -0.863 . . . . 1.41 109.497 178.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.3 mt -61.31 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.539 -0.755 . . . . 0.48 110.313 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.17 -32.51 7.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 1.29 111.027 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.99 -29.08 58.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.39 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -84.5 -34.05 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 2.07 110.935 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.18 -34.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.663 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.85 45.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.235 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.34 -47.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 1.79 110.862 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' B' ' 20' ' ' LEU . 7.6 mt -63.74 -53.11 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.63 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.92 -31.09 4.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.99 111.213 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.91 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.65 111.074 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 27' ' ' LEU . 7.3 mmtp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.53 111.068 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.897 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -71.15 -42.78 68.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 2.89 111.211 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -56.3 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.81 111.419 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.484 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.66 -37.13 27.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.922 0.391 . . . . 2.54 110.759 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.8 mp -69.0 -37.48 78.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 1.35 109.845 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.8 t -62.74 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.79 110.006 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -53.28 -31.53 44.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 2.23 109.675 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.02 -30.01 66.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.637 -0.71 . . . . 2.29 110.322 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.676 ' CE1' HG22 ' B' ' 6' ' ' ILE . 44.6 p-80 -144.77 67.66 14.02 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.351 -0.386 . . . . 2.47 111.093 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.96 52.34 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.769 2.312 . . . . 2.23 112.532 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.395 . . . . 5.58 110.908 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.347 . . . . 5.51 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.72 71.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.658 -0.782 . . . . 3.11 112.477 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.88 -96.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 1.66 112.453 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 14.18 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 2.59 111.355 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -27.66 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.215 0.531 . . . . 2.22 110.036 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.676 HG22 ' CE1' ' A' ' 31' ' ' HIS . 21.2 mt -80.56 -45.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.374 -0.83 . . . . 1.57 110.261 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.27 -27.87 56.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.5 -0.773 . . . . 1.94 110.847 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.45 -37.87 42.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 2.22 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.64 -37.92 83.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.758 -0.655 . . . . 2.37 110.787 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.4 pt -71.24 -43.38 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.11 111.209 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 24.3 t70 -48.18 -34.94 10.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.394 0.616 . . . . 1.51 109.843 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 5.6 t0 -68.3 -46.98 68.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.576 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.782 HG22 HD11 ' B' ' 17' ' ' ILE . 35.1 mt -60.69 -49.03 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.699 . . . . 0.55 110.394 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.9 t70 -48.7 -32.17 7.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.35 -0.387 . . . . 1.32 111.077 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -28.23 59.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 1.19 110.377 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.49 -36.4 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.914 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.2 mt -62.52 -32.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 1.06 110.803 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.66 -38.43 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.58 111.249 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.48 -43.47 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.345 -0.389 . . . . 1.58 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' A' ' 20' ' ' LEU . 11.8 mt -69.64 -51.39 35.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.63 110.962 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -52.67 -33.95 49.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 1.98 111.12 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -30.54 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.62 111.006 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 13' ' ' ILE . 21.5 mtpt -71.54 -33.64 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 1.43 111.149 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.85 -46.55 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.072 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -54.26 46.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.75 111.232 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.0 ptm180 -50.43 -44.87 55.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.074 0.464 . . . . 2.89 110.392 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.2 mp -61.48 -37.43 83.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.873 -0.603 . . . . 1.38 109.975 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -63.64 -45.44 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.2 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -28.03 15.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 2.33 109.927 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -31.86 58.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.47 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' A' ' 6' ' ' ILE . 21.1 p-80 -136.59 61.24 35.99 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-O 120.911 0.386 . . . . 3.18 111.108 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 -33.77 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.59 2.193 . . . . 2.31 112.413 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.212 -0.899 . . . . 5.81 110.882 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.782 0.325 . . . . 4.94 111.246 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.31 -41.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 3.04 112.424 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.28 -125.81 7.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 1.84 112.483 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.03 15.35 17.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.688 0.28 . . . . 2.71 111.408 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -53.44 -27.92 27.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.181 0.515 . . . . 2.64 110.102 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.629 HG22 ' CE1' ' B' ' 31' ' ' HIS . 23.4 mt -81.79 -44.98 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.461 -0.791 . . . . 1.8 110.279 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.82 -28.77 57.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.71 -0.677 . . . . 2.15 110.767 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -77.1 -38.9 51.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 2.21 110.213 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HE2' HD21 ' B' ' 27' ' ' LEU . 11.8 ttpt -63.18 -37.31 86.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.665 . . . . 2.42 110.822 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.6 pt -71.73 -43.27 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.216 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.4 t70 -50.72 -33.93 24.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.406 0.622 . . . . 1.48 109.977 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.31 -47.34 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.357 -0.838 . . . . 1.41 109.249 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 HG22 HD11 ' A' ' 17' ' ' ILE . 20.8 mt -60.09 -45.87 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.411 -0.813 . . . . 0.48 110.226 178.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.923 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.271 -0.422 . . . . 1.29 111.002 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -28.29 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 1.11 110.407 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.2 mt-10 -85.27 -34.04 22.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 2.07 110.988 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.41 -32.25 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.132 0.492 . . . . 0.94 110.812 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.51 30.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 0.66 111.187 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.18 -43.46 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.98 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -68.68 -54.66 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.056 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.78 -34.49 27.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 1.99 111.211 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.36 61.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.65 111.024 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.4 mtpm? -73.17 -33.76 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.53 111.212 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.89 -44.91 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 2.89 111.177 -179.801 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -55.43 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.81 111.351 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -49.58 -43.05 45.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.019 0.437 . . . . 2.54 110.491 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD21 ' HD2' ' B' ' 9' ' ' LYS . 5.4 mp -63.66 -37.9 89.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.35 110.096 179.192 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.4 t -61.06 -46.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.79 110.28 179.318 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -32.21 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 2.23 109.639 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.97 -30.77 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.61 -0.723 . . . . 2.29 110.374 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.672 ' HB3' HD13 ' B' ' 6' ' ' ILE . 24.1 p-80 -137.81 72.93 47.86 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-O 120.861 0.362 . . . . 2.47 111.043 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.84 -167.65 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.524 2.149 . . . . 2.23 112.247 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 5.58 110.915 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 5.51 110.908 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.58 102.35 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.813 -0.708 . . . . 3.11 112.507 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.8 -163.11 0.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 1.66 112.495 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.67 14.91 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.68 0.276 . . . . 2.59 111.397 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -29.98 29.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.137 0.494 . . . . 2.22 109.992 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 31' ' ' HIS . 2.1 mt -78.89 -45.15 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.496 -0.775 . . . . 1.57 110.369 179.208 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -55.07 -31.49 61.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.598 -0.728 . . . . 1.94 110.637 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -77.44 -39.61 46.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 2.22 110.07 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.606 ' HD2' HD21 ' A' ' 27' ' ' LEU . 3.6 ttmt -62.8 -38.81 92.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.676 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.45 HG23 HD23 ' A' ' 27' ' ' LEU . 19.7 pt -70.59 -43.21 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 1.11 111.092 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' B' ' 10' ' ' ILE . 32.8 t0 -49.27 -34.85 16.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.406 0.622 . . . . 1.51 109.822 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.29 -46.19 74.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.376 -0.829 . . . . 1.44 109.331 178.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.545 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.18 -45.04 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.55 110.202 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.2 t0 -49.28 -34.15 14.63 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.263 -0.426 . . . . 1.32 110.907 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -28.16 61.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.325 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.9 mt-10 -84.85 -34.36 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 2.03 111.039 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -64.24 -32.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 1.06 110.75 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.81 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.274 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.2 -43.57 70.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 1.58 110.993 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.42 -53.07 26.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.63 111.064 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.18 -35.58 36.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.98 111.348 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.17 64.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.078 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.749 ' O ' HD12 ' B' ' 27' ' ' LEU . 16.9 mtpt -71.62 -33.51 69.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.43 111.236 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.63 -43.55 68.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 2.28 111.271 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -57.6 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.75 111.164 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 2.1 ptp180 -49.08 -35.87 17.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.089 0.471 . . . . 2.89 110.621 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.749 HD12 ' O ' ' B' ' 23' ' ' LYS . 4.3 mt -70.54 -39.62 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 1.38 109.97 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' B' ' 24' ' ' ARG . 35.4 t -60.9 -45.71 97.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 0.79 110.145 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.23 -34.89 59.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.636 . . . . 2.33 109.516 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -65.53 -30.49 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 2.39 110.24 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' A' ' 6' ' ' ILE . 33.9 p-80 -142.0 77.27 18.58 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-N 116.301 -0.409 . . . . 3.18 110.971 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.25 -27.85 19.24 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.533 2.155 . . . . 2.31 112.323 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.22 -0.895 . . . . 5.81 110.872 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 4.94 111.226 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.17 141.57 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.719 -0.753 . . . . 3.04 112.534 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.91 91.75 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 1.84 112.399 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.76 15.88 9.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.748 0.309 . . . . 2.71 111.443 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.11 -26.22 36.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.528 . . . . 2.64 110.147 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.664 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.4 mt -79.09 -45.67 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.564 -0.743 . . . . 1.8 110.36 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.18 -26.58 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.519 -0.764 . . . . 2.15 110.879 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -38.77 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 2.21 110.186 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HE3' HD11 ' B' ' 27' ' ' LEU . 5.9 ttmm -59.67 -39.11 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.756 -0.656 . . . . 2.42 110.914 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.02 -43.19 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.95 111.14 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -47.96 -34.86 9.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.281 0.562 . . . . 1.48 109.939 179.54 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.58 -49.57 62.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.644 178.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' A' ' 17' ' ' ILE . 36.8 mt -59.4 -47.77 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.755 -0.657 . . . . 0.48 110.456 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.51 -32.8 8.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.089 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.1 -28.52 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 1.11 110.405 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.1 mt-10 -85.08 -35.05 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 2.07 110.925 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.31 -33.0 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.94 110.682 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 -37.74 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.795 -0.639 . . . . 0.66 111.186 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -42.7 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 1.79 110.951 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' B' ' 20' ' ' LEU . 11.2 mt -70.68 -50.59 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.63 110.925 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -48.81 -43.59 38.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 1.99 111.264 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.94 93.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.868 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.801 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -60.35 -35.12 74.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.916 179.857 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.914 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.34 -43.83 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 2.89 111.163 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -56.67 14.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.247 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.613 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.22 -40.69 48.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.987 0.422 . . . . 2.54 110.488 -179.797 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -64.71 -37.66 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 1.35 109.832 178.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 24' ' ' ARG . 44.1 t -62.27 -44.7 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.067 179.204 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -52.32 -31.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.837 -0.62 . . . . 2.23 109.728 178.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -72.13 -30.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.529 -0.759 . . . . 2.29 110.391 179.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.66 ' CE1' HG22 ' B' ' 6' ' ' ILE . 32.4 p-80 -142.35 67.99 20.98 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-N 116.327 -0.397 . . . . 2.47 111.01 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.58 -28.36 11.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.191 . . . . 2.23 112.355 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 5.58 110.906 179.968 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 5.51 110.903 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.01 62.7 4.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 3.11 112.515 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.22 71.28 2.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.729 . . . . 1.66 112.519 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.03 17.89 9.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.759 0.314 . . . . 2.59 111.417 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -55.49 -26.02 40.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.154 0.502 . . . . 2.22 110.159 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.66 HG22 ' CE1' ' A' ' 31' ' ' HIS . 19.0 mt -82.27 -46.14 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.471 -0.786 . . . . 1.57 110.397 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -30.5 64.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 1.94 110.841 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.97 -39.18 35.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.082 0.468 . . . . 2.22 110.335 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -37.92 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.37 110.725 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -70.53 -42.79 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 1.11 111.211 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.9 -34.68 21.02 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.405 0.622 . . . . 1.51 109.892 179.58 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.64 -46.99 73.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.305 -0.861 . . . . 1.44 109.272 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.8 mt -60.4 -46.41 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.421 -0.809 . . . . 0.55 110.216 178.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 10.8 t0 -48.27 -33.14 8.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.298 -0.41 . . . . 1.32 110.996 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.16 -29.15 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 1.19 110.359 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.4 mt-10 -84.44 -34.27 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 2.03 111.062 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.36 -32.89 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 1.06 110.768 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.43 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.58 111.272 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.25 -45.14 72.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.58 110.926 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -67.91 -50.97 53.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.63 110.938 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.09 -32.31 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.091 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.61 66.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.981 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 27' ' ' LEU . 44.1 mttt -69.47 -35.67 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.43 111.059 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.93 -44.72 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 2.28 111.055 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -53.51 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.75 111.272 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.3 ptp180 -50.2 -42.31 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 2.89 110.624 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 6' ' ' ILE . 3.4 mm? -65.53 -36.29 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.954 -0.567 . . . . 1.38 110.058 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.3 t -64.83 -44.46 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.113 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -52.03 -33.27 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 2.33 109.754 179.113 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -68.68 -34.13 75.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 2.39 110.129 178.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.664 ' CE1' HG22 ' A' ' 6' ' ' ILE . 44.7 p-80 -138.35 73.55 43.05 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.97 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.98 -28.36 9.27 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.53 2.153 . . . . 2.31 112.339 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.229 -0.891 . . . . 5.81 110.905 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.809 0.338 . . . . 4.94 111.185 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.51 128.15 5.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.788 -0.72 . . . . 3.04 112.511 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.04 -131.02 2.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.683 -0.77 . . . . 1.84 112.53 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.31 14.14 19.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 2.71 111.385 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -52.84 -27.9 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 2.64 110.059 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.628 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.0 mt -80.8 -45.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.499 -0.773 . . . . 1.8 110.347 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -29.81 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.631 -0.713 . . . . 2.15 110.812 179.694 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.77 -41.19 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 2.21 110.172 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.17 -34.29 76.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.713 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.7 pt -72.82 -43.44 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.95 111.269 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 t70 -50.39 -34.2 23.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.36 0.6 . . . . 1.48 109.863 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.3 -48.17 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.448 178.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 HD11 ' A' ' 17' ' ' ILE . 25.0 mt -59.63 -46.51 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.514 -0.766 . . . . 0.48 110.333 178.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t0 -48.28 -34.26 10.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.118 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.24 -28.7 61.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.11 110.397 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.2 mt-10 -85.07 -34.03 22.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.856 -0.611 . . . . 2.07 111.064 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.33 -32.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.069 0.461 . . . . 0.94 110.789 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -39.54 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.651 . . . . 0.66 111.363 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.75 -43.58 69.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.313 -0.403 . . . . 1.79 111.046 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' B' ' 20' ' ' LEU . 10.7 mt -68.96 -54.21 16.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.63 111.142 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -52.84 -32.89 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.99 111.362 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.6 -29.43 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.65 111.181 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.94 -35.68 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.53 111.23 -179.782 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -66.08 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 2.89 111.299 -179.665 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -56.84 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.81 110.983 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.2 ptm180 -49.07 -39.76 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 2.54 110.4 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 23' ' ' LYS . 4.4 mt -67.33 -39.48 85.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.79 -0.641 . . . . 1.35 110.229 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 24' ' ' ARG . 26.3 t -61.36 -47.81 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.79 110.398 179.419 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -51.6 -33.4 32.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.003 -0.544 . . . . 2.23 109.716 179.065 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -32.93 74.69 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.525 -0.761 . . . . 2.29 110.177 178.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.619 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.3 p-80 -136.72 84.93 25.53 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.892 179.454 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.43 -27.02 34.14 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.543 2.162 . . . . 2.23 112.254 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 5.58 110.909 179.988 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 5.51 110.904 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.66 -53.88 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.836 -0.697 . . . . 3.11 112.514 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.27 -142.34 22.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.741 -0.742 . . . . 1.66 112.542 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -92.78 13.27 20.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.612 0.244 . . . . 2.59 111.368 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -52.44 -28.62 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.521 . . . . 2.22 110.106 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 31' ' ' HIS . 23.6 mt -79.88 -44.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.426 -0.806 . . . . 1.57 110.409 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -31.66 63.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 1.94 110.786 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -77.19 -40.26 45.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.5 . . . . 2.22 110.274 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -63.41 -36.31 83.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.84 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.7 pt -72.11 -43.69 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.11 111.292 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.45 ' N ' HG13 ' B' ' 10' ' ' ILE . 6.7 m-20 -50.52 -34.35 24.97 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.417 0.627 . . . . 1.51 109.858 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.22 72.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.299 -0.864 . . . . 1.44 109.334 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 22.9 mt -60.25 -45.98 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.55 110.297 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.0 t0 -48.21 -34.12 9.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.275 -0.42 . . . . 1.32 110.966 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.65 -28.93 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 1.19 110.401 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -84.82 -33.13 22.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.856 -0.611 . . . . 2.03 111.02 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -65.15 -32.57 58.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 1.06 110.733 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -38.29 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.58 111.306 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -44.18 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.58 110.959 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 20' ' ' LEU . 11.5 mt -67.98 -53.72 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.63 111.208 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.82 -34.12 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 1.98 111.351 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.97 -29.3 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.62 111.18 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.22 -35.11 66.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.43 111.205 -179.797 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.23 -47.36 68.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.321 -179.678 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -54.53 44.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.75 111.274 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.23 -43.96 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 2.89 110.373 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.61 HD23 HG23 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -63.66 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.92 -0.582 . . . . 1.38 110.037 179.269 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -62.57 -46.39 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.79 110.306 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -51.92 -29.95 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 2.33 109.784 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -72.48 -31.56 65.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.637 -0.71 . . . . 2.39 110.337 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.628 ' CE1' HG22 ' A' ' 6' ' ' ILE . 23.1 p-80 -137.74 69.26 51.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.341 -0.39 . . . . 3.18 110.979 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 -36.89 3.44 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.531 2.154 . . . . 2.31 112.304 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 5.81 110.865 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.777 0.323 . . . . 4.94 111.175 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.53 156.32 21.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.625 -0.798 . . . . 3.04 112.419 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.05 60.97 4.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.742 -0.742 . . . . 1.84 112.476 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.62 17.17 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 2.71 111.41 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.26 -28.36 41.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 2.64 110.162 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' B' ' 31' ' ' HIS . 23.1 mt -80.43 -45.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.425 -0.807 . . . . 1.8 110.276 179.334 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.9 tt0 -55.15 -28.44 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.721 -0.672 . . . . 2.15 110.762 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -76.23 -42.22 46.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 2.21 110.38 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -62.57 -40.87 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 2.42 110.796 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.0 pt -68.71 -42.63 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.134 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.4 t0 -50.31 -34.8 24.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.391 0.615 . . . . 1.48 109.873 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.64 -46.55 78.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.265 -0.88 . . . . 1.41 109.178 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 17' ' ' ILE . 29.9 mt -61.27 -45.59 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.259 -0.882 . . . . 0.48 110.156 178.846 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 12.6 t0 -47.51 -33.08 5.91 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.992 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -30.05 57.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.366 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.26 -31.38 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 2.07 111.097 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.1 mt -66.46 -35.14 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.94 110.65 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.44 52.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.66 111.437 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.92 -45.19 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.953 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 4.8 mt -66.53 -51.13 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.63 111.023 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -50.78 -34.21 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 1.99 111.094 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.18 74.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.65 110.958 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.02 -35.64 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.084 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -68.78 -44.16 74.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 2.89 111.319 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -55.48 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.81 111.377 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 2.3 ptt85 -49.57 -42.75 45.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.036 0.446 . . . . 2.54 110.565 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD23 HG23 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -64.3 -37.69 88.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.933 -0.576 . . . . 1.35 110.089 179.211 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 24' ' ' ARG . 41.3 t -61.86 -45.5 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.262 -0.427 . . . . 0.79 110.217 179.25 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -52.19 -32.06 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.888 -0.596 . . . . 2.23 109.656 179.019 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -30.82 67.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.586 -0.734 . . . . 2.29 110.413 179.066 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.755 ' HB3' HD12 ' B' ' 6' ' ' ILE . 26.8 p-80 -138.57 72.04 43.74 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.893 0.378 . . . . 2.47 111.0 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.13 -29.24 10.05 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.554 2.169 . . . . 2.23 112.409 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 5.58 110.869 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 5.51 110.873 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.93 153.88 25.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 3.11 112.49 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.38 -94.94 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 1.66 112.525 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.85 14.8 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.734 0.302 . . . . 2.59 111.398 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -52.77 -30.24 31.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 2.22 110.064 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.755 HD12 ' HB3' ' A' ' 31' ' ' HIS . 29.3 mt -78.53 -44.28 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.498 -0.774 . . . . 1.57 110.194 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.2 tt0 -54.93 -28.06 48.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.614 -0.721 . . . . 1.94 110.562 179.464 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -76.72 -40.81 47.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 2.22 110.106 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -61.87 -43.29 99.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.74 -0.664 . . . . 2.37 110.623 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 15.5 pt -67.01 -42.58 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.11 111.007 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.02 -34.88 14.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.34 0.59 . . . . 1.51 109.867 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.38 -46.75 75.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.389 -0.823 . . . . 1.44 109.231 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 26.2 mt -60.3 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.424 -0.807 . . . . 0.55 109.947 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -49.11 -32.38 9.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 1.32 110.909 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -75.57 -28.45 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.19 110.295 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.0 mt-10 -85.37 -33.8 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 2.03 111.044 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -65.12 -32.63 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.06 110.698 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.85 -36.63 31.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.58 111.187 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.74 -44.45 69.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.81 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.86 -50.13 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.63 110.899 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -55.33 -33.55 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.149 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.44 71.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.62 111.125 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.625 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.8 mtpt -70.67 -32.67 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.027 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.925 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.17 -45.75 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 2.28 111.132 -179.855 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -56.01 22.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.75 111.241 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -49.26 -43.0 42.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.89 110.288 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.8 mt -62.55 -39.32 93.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.795 -0.639 . . . . 1.38 109.921 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.0 t -63.85 -44.29 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.152 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -52.1 -28.41 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 2.33 109.978 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -77.35 -30.83 54.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.678 -0.692 . . . . 2.39 110.54 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.751 ' HB3' HD12 ' A' ' 6' ' ' ILE . 29.9 p-80 -136.74 58.85 20.95 Favored Pre-proline 0 N--CA 1.462 0.158 0 CA-C-O 120.891 0.376 . . . . 3.18 111.068 179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.03 -36.75 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.655 2.237 . . . . 2.31 112.425 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.203 -0.903 . . . . 5.81 110.88 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.842 0.353 . . . . 4.94 111.165 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.42 -143.66 1.46 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.761 . . . . 3.04 112.466 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.06 37.25 16.23 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.83 -0.7 . . . . 1.84 112.371 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -125.88 -84.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 2.71 111.056 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 -45.61 0.25 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 2.64 109.523 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.551 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.5 mt -63.96 -49.47 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 1.8 109.721 178.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.48 -28.96 33.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.261 -0.881 . . . . 2.15 111.099 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -78.64 -38.53 39.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 2.21 110.369 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -40.07 89.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.78 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -68.44 -43.03 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.177 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.1 t0 -49.17 -34.53 14.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.344 0.592 . . . . 1.48 109.868 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -66.62 -47.54 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.407 -0.815 . . . . 1.41 109.283 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.829 HD13 ' HB3' ' B' ' 23' ' ' LYS . 26.0 mt -59.76 -46.12 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.48 110.093 178.694 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 t0 -49.13 -31.89 9.01 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.222 -0.444 . . . . 1.29 110.908 179.55 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 1.11 110.287 179.461 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 20' ' ' LEU . 16.9 mt-10 -85.04 -34.04 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.795 -0.639 . . . . 2.07 111.031 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -65.12 -32.54 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.94 110.719 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.01 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.573 . . . . 0.66 111.235 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -53.36 -44.21 68.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.79 110.866 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -69.97 -49.57 50.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.798 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.3 -34.96 62.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.99 111.025 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.88 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.65 111.014 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 mtpt -69.14 -32.97 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 1.53 110.952 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.07 -46.19 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 2.89 111.073 -179.833 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.83 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.81 111.041 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -49.32 -42.87 42.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 2.54 110.357 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 23' ' ' LYS . 2.5 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.69 -0.687 . . . . 1.35 110.115 179.176 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 24' ' ' ARG . 33.2 t -62.05 -46.12 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.79 110.218 179.324 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -51.94 -31.29 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.23 109.873 179.103 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -71.27 -31.15 67.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.61 -0.723 . . . . 2.29 110.376 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.59 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.9 p-80 -137.21 71.46 54.26 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 2.47 110.985 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.55 -22.73 37.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.592 2.195 . . . . 2.23 112.345 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 5.58 110.936 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.824 0.345 . . . . 5.51 110.919 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.14 167.75 13.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.761 . . . . 3.11 112.472 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.23 -106.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 1.66 112.493 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -128.13 13.46 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.688 0.28 . . . . 2.59 111.372 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -29.63 23.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.25 0.547 . . . . 2.22 110.137 179.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.59 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -80.5 -43.38 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.421 -0.809 . . . . 1.57 110.245 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 1.3 tt0 -56.11 -29.15 60.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.664 -0.698 . . . . 1.94 110.766 179.626 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -76.98 -42.17 40.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.982 -0.554 . . . . 2.22 110.336 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -38.54 89.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 2.37 110.825 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.9 pt -69.82 -43.24 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 1.11 111.195 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -50.13 -34.71 23.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.377 0.608 . . . . 1.51 109.871 179.594 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -46.66 76.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.322 -0.854 . . . . 1.44 109.239 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 26.0 mt -61.02 -46.05 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.168 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.928 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.06 -32.58 6.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.18 -0.464 . . . . 1.32 111.008 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.24 -29.43 57.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 1.19 110.352 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.7 mm-40 -84.53 -32.25 24.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 2.03 111.054 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.928 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.86 -34.61 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.06 110.674 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.08 -37.6 46.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.297 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.41 -43.64 68.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 1.58 110.996 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -68.55 -50.07 54.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.63 110.826 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.9 -41.53 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 1.98 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.85 98.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.62 110.71 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.829 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -58.33 -34.76 70.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 1.43 110.971 179.838 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -73.47 -45.6 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 2.28 111.185 -179.867 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -55.25 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.75 111.246 -179.533 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -43.17 55.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.426 . . . . 2.89 110.433 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 23' ' ' LYS . 0.5 OUTLIER -62.51 -37.65 86.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 1.38 109.807 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.3 t -63.77 -44.58 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.126 179.23 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -30.0 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 2.33 109.868 179.131 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -31.62 60.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.635 -0.711 . . . . 2.39 110.47 179.235 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 6' ' ' ILE . 44.6 p-80 -139.13 60.57 17.9 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 3.18 110.97 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.93 -43.39 0.08 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.736 2.29 . . . . 2.31 112.499 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.234 -0.889 . . . . 5.81 110.898 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.825 0.345 . . . . 4.94 111.188 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.65 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 3.04 112.52 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.93 -94.09 0.6 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 1.84 112.551 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.76 15.12 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 2.71 111.32 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -28.01 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.135 0.493 . . . . 2.64 110.097 179.639 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.602 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.9 mp -84.64 -44.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 1.8 110.37 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.3 tp10 -57.07 -23.83 49.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.582 -0.735 . . . . 2.15 110.999 179.705 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -78.5 -44.43 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.152 0.501 . . . . 2.21 110.364 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -60.11 -39.84 87.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.787 179.77 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 7' ' ' GLU . 13.2 pt -68.99 -42.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.95 111.147 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.36 -36.04 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.424 0.631 . . . . 1.48 109.698 179.553 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 5.3 m-20 -66.81 -44.23 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.28 -0.873 . . . . 1.41 109.168 178.596 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.689 HG22 HD11 ' A' ' 17' ' ' ILE . 10.4 mt -61.63 -48.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.268 178.879 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.877 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.0 t0 -47.76 -31.55 4.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.268 -0.424 . . . . 1.29 111.123 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -76.91 -28.88 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.11 110.462 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' HD12 ' B' ' 20' ' ' LEU . 7.4 mm-40 -85.48 -35.58 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.027 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 14' ' ' ASP . 8.7 mt -63.8 -34.02 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.618 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -36.66 37.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 0.66 111.2 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -42.71 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.79 110.988 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -71.06 -50.32 35.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.63 110.876 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.33 -40.26 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 1.99 110.971 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.96 73.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.65 110.861 179.724 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -71.83 -33.11 68.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.53 110.8 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.848 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.5 ttt180 -74.49 -43.18 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.018 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -53.94 51.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.81 110.825 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -50.16 -43.56 52.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 2.54 110.174 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD22 HG23 ' B' ' 6' ' ' ILE . 11.8 mt -62.09 -38.51 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 1.35 109.894 179.027 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 24' ' ' ARG . 24.5 t -64.23 -45.09 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.79 110.24 179.274 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -52.89 -27.29 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.784 -0.643 . . . . 2.23 110.032 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.25 -30.77 54.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 2.29 110.482 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.689 ' HB3' HD12 ' B' ' 6' ' ' ILE . 27.6 p-80 -137.01 60.34 28.11 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-O 120.855 0.36 . . . . 2.47 111.083 179.639 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.66 -28.56 6.45 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.535 2.156 . . . . 2.23 112.388 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 5.58 110.921 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.821 0.343 . . . . 5.51 110.91 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.62 80.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 3.11 112.52 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.06 -84.69 1.28 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.692 -0.766 . . . . 1.66 112.515 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 13.66 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 2.59 111.364 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -52.75 -29.47 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.151 0.5 . . . . 2.22 110.049 179.599 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 31' ' ' HIS . 30.9 mt -76.05 -44.68 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.442 -0.799 . . . . 1.57 110.192 179.072 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.438 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.5 tt0 -55.28 -28.17 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 1.94 110.735 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -76.49 -42.6 42.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.22 110.226 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.09 -40.72 96.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.702 -0.681 . . . . 2.37 110.798 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.1 pt -68.94 -42.84 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.364 -0.38 . . . . 1.11 111.146 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -48.99 -35.64 15.74 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.421 0.629 . . . . 1.51 109.732 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.7 m-20 -66.41 -43.86 84.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 1.44 109.192 178.489 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.67 HG22 HD11 ' B' ' 17' ' ' ILE . 13.1 mt -62.0 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.55 110.243 178.82 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.0 t0 -47.5 -31.73 4.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.182 -0.463 . . . . 1.32 111.079 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -29.94 55.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 1.19 110.509 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 13' ' ' ILE . 11.2 mm-40 -84.49 -33.73 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.906 -0.588 . . . . 2.03 111.107 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.32 -36.46 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 1.06 110.603 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.62 -36.56 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 0.58 111.319 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -43.71 69.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.58 110.884 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 20' ' ' LEU . 5.5 mt -68.55 -50.69 49.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.63 111.014 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -41.75 49.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 1.98 111.013 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.48 93.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.62 110.898 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -62.85 -34.58 77.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.959 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 14.6 ttt180 -75.85 -43.47 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.194 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -54.56 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 0.75 110.955 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.74 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 2.89 110.374 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -62.29 -37.0 83.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 1.38 109.966 178.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.5 t -63.2 -44.86 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.006 -0.543 . . . . 0.79 110.235 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -31.01 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 2.33 109.683 179.009 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.86 -31.91 66.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.606 -0.724 . . . . 2.39 110.29 179.143 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.602 ' CE1' HG22 ' A' ' 6' ' ' ILE . 25.3 p-80 -138.22 70.24 47.88 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.27 -0.423 . . . . 3.18 111.038 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.61 -16.34 42.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.557 2.171 . . . . 2.31 112.523 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.251 -0.88 . . . . 5.81 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.85 0.357 . . . . 4.94 111.167 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.27 -54.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 3.04 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.43 49.55 25.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.76 -0.734 . . . . 1.84 112.352 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -135.45 -84.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.071 0.462 . . . . 2.71 110.965 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.25 -43.77 0.29 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.745 -0.661 . . . . 2.64 109.512 179.631 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.797 ' CG2' HD12 ' B' ' 27' ' ' LEU . 2.2 mt -64.4 -50.39 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 1.8 109.758 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.18 -33.51 52.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.166 -0.924 . . . . 2.15 111.065 179.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -78.05 -36.15 48.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 2.21 110.446 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -39.6 82.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.811 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.0 pt -70.07 -42.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.95 111.166 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.3 t70 -47.96 -34.68 9.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.411 0.624 . . . . 1.48 109.947 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.86 -48.88 64.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.492 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.739 HG22 HD11 ' A' ' 17' ' ' ILE . 38.6 mt -59.43 -47.41 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.48 110.313 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.74 -33.12 9.64 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.129 179.696 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -28.39 60.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.078 0.466 . . . . 1.11 110.351 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.0 mt-10 -85.35 -34.91 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.833 -0.621 . . . . 2.07 110.934 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.1 mt -63.76 -32.16 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.94 110.705 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.87 -38.08 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.66 111.243 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -43.43 69.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.318 -0.401 . . . . 1.79 111.0 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -69.59 -55.15 10.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.041 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -51.09 -33.28 25.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 1.99 111.211 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.081 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.83 -33.55 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 1.53 111.177 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.89 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -68.81 -45.37 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.371 . . . . 2.89 111.114 -179.828 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -56.34 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.114 -179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -49.13 -41.84 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.088 0.471 . . . . 2.54 110.359 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.657 HD22 HG23 ' B' ' 6' ' ' ILE . 15.3 mt -64.52 -39.07 93.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.803 -0.635 . . . . 1.35 110.109 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.4 t -61.01 -47.13 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.346 179.323 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -51.58 -32.14 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.932 -0.576 . . . . 2.23 109.845 179.051 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -69.35 -31.41 69.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.537 -0.756 . . . . 2.29 110.378 179.143 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.588 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.9 p-80 -137.49 73.25 49.43 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 116.298 -0.41 . . . . 2.47 111.088 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.99 -71.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.519 2.146 . . . . 2.23 112.304 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 5.58 110.864 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 5.51 110.883 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.14 95.81 2.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.721 -0.752 . . . . 3.11 112.508 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -95.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 1.66 112.486 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -137.68 14.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 2.59 111.394 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -52.02 -28.7 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.209 0.528 . . . . 2.22 110.102 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.657 HG23 HD22 ' A' ' 27' ' ' LEU . 3.4 mp -84.98 -43.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.471 -0.786 . . . . 1.57 110.386 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HA ' HD11 ' B' ' 10' ' ' ILE . 2.2 tt0 -55.85 -29.39 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 1.94 110.693 179.573 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -77.22 -42.17 38.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 2.22 110.226 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -61.76 -38.54 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 2.37 110.746 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.417 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -70.19 -43.08 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 1.11 111.178 179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' B' ' 10' ' ' ILE . 8.1 t70 -49.74 -34.63 19.61 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 1.51 109.919 179.664 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.51 -46.15 73.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.842 . . . . 1.44 109.288 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.534 HG22 HD11 ' B' ' 17' ' ' ILE . 16.2 mt -60.69 -44.99 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.55 110.166 178.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.964 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -49.31 -34.31 15.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 1.32 110.936 179.485 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.19 -28.16 61.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 1.19 110.306 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.8 mm-40 -84.81 -34.19 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.94 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.964 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.03 -32.57 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.06 110.629 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -37.96 33.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.58 111.267 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.84 -44.33 73.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.58 111.081 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 20' ' ' LEU . 9.8 mt -68.06 -53.21 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.63 111.074 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -50.92 -30.34 14.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.212 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.8 -31.49 59.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.62 111.049 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.484 ' O ' HD23 ' B' ' 27' ' ' LEU . 28.1 mttm -72.87 -32.37 65.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 1.43 111.012 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.08 -40.67 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.191 -179.807 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -55.44 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.75 111.407 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 6.5 ptp85 -49.45 -41.69 40.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.971 0.415 . . . . 2.89 110.543 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.797 HD12 ' CG2' ' A' ' 6' ' ' ILE . 1.6 mm? -63.44 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 1.38 109.788 179.038 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.39 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.79 110.124 179.311 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -29.51 22.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.884 -0.598 . . . . 2.33 109.98 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -75.84 -30.1 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.48 179.186 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 6' ' ' ILE . 51.7 p-80 -141.9 61.31 12.48 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.367 -0.379 . . . . 3.18 111.049 179.656 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.56 -39.57 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.655 2.237 . . . . 2.31 112.384 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.205 -0.902 . . . . 5.81 110.92 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.823 0.344 . . . . 4.94 111.148 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.25 -155.54 51.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 3.04 112.439 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.55 39.09 15.1 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.882 -0.675 . . . . 1.84 112.296 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -123.69 -84.54 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 2.71 111.051 -179.315 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -142.94 -44.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 2.64 109.489 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -65.13 -51.85 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 1.8 109.65 178.723 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.47 63.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.169 -0.923 . . . . 2.15 111.0 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -78.36 -32.95 49.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 2.21 110.599 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -38.6 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.789 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.94 -43.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.95 111.19 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t0 -50.01 -34.48 21.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.376 0.608 . . . . 1.48 109.929 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.96 -46.71 73.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.231 178.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.665 HG22 HD11 ' A' ' 17' ' ' ILE . 24.0 mt -60.64 -47.15 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.487 -0.779 . . . . 0.48 110.219 178.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.32 -32.42 7.39 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.305 -0.407 . . . . 1.29 111.062 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.93 -28.94 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.397 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.7 mt-10 -84.66 -34.52 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 2.07 110.972 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -63.76 -34.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.715 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -36.63 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.659 . . . . 0.66 111.292 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.02 -46.92 75.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 1.79 110.881 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -64.89 -51.73 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.63 111.014 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -32.98 19.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 1.99 111.237 -179.731 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -30.76 63.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.65 110.995 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.9 mttp -70.37 -31.18 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 1.53 111.105 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.1 -48.09 38.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 2.89 111.212 -179.784 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -54.66 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.81 111.266 -179.606 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -44.79 51.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 2.54 110.412 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -62.69 -37.29 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 1.35 110.064 179.268 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.0 t -62.62 -43.94 98.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 0.79 110.116 179.218 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -32.62 35.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.729 178.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.95 -32.01 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 2.29 110.284 179.036 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.8 p-80 -136.95 72.66 54.19 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 116.324 -0.398 . . . . 2.47 110.992 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.16 -32.59 8.29 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.624 2.216 . . . . 2.23 112.336 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.094 -0.503 . . . . 5.58 110.913 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 5.51 110.853 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.88 -69.38 0.44 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.764 -0.731 . . . . 3.11 112.536 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.36 -154.4 37.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 1.66 112.477 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.48 13.98 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.672 0.272 . . . . 2.59 111.38 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -52.67 -29.56 27.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.183 0.516 . . . . 2.22 109.971 179.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.615 HG23 HD23 ' A' ' 27' ' ' LEU . 2.4 mp -78.35 -45.18 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.431 -0.804 . . . . 1.57 110.276 179.151 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -28.65 57.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 1.94 110.743 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -78.32 -41.05 34.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 2.22 110.312 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.56 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.769 -0.651 . . . . 2.37 110.745 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.4 pt -69.55 -42.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.11 110.96 179.747 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.3 t0 -50.05 -34.34 21.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.393 0.616 . . . . 1.51 109.813 179.55 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.66 -46.28 76.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.168 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 29.7 mt -60.37 -45.89 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.333 -0.849 . . . . 0.55 110.122 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.89 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -48.84 -32.77 9.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 1.32 110.87 179.452 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -28.39 59.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 1.19 110.368 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.3 mt-10 -85.44 -34.47 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 2.03 110.992 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -64.12 -33.35 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 1.06 110.655 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -36.6 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.654 . . . . 0.58 111.08 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.36 -44.19 71.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.805 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' A' ' 20' ' ' LEU . 6.7 mt -68.89 -50.71 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.63 110.851 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.24 -32.11 35.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 1.98 111.031 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -31.16 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.62 110.875 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.5 mttm -70.04 -31.87 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 1.43 111.019 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.15 -45.39 60.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.369 . . . . 2.28 111.001 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -54.08 48.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.75 111.284 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -50.71 -44.73 58.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.079 0.466 . . . . 2.89 110.447 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.517 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.0 mm? -62.05 -36.25 81.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.869 -0.605 . . . . 1.38 110.068 179.155 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -64.46 -45.62 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 116.16 -0.473 . . . . 0.79 110.291 179.261 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -29.87 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.987 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.39 -30.49 60.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.664 -0.698 . . . . 2.39 110.482 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.572 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.5 p-80 -142.69 61.9 11.8 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 3.18 111.085 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.48 -43.08 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.562 2.175 . . . . 2.31 112.419 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.246 -0.883 . . . . 5.81 110.927 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.78 0.324 . . . . 4.94 111.188 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.61 -112.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 3.04 112.476 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.26 57.16 5.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 1.84 112.493 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.64 17.12 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 2.71 111.397 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -27.16 40.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 2.64 110.142 179.612 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.599 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.5 mt -80.15 -46.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.54 -0.755 . . . . 1.8 110.372 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.74 -29.97 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 2.15 110.706 179.635 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -78.36 -40.64 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 2.21 110.244 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -63.05 -36.48 83.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.762 -0.654 . . . . 2.42 110.76 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.3 pt -71.6 -42.96 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.95 111.12 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.2 t70 -51.11 -33.85 28.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 1.48 109.97 179.547 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.05 -46.9 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.332 -0.849 . . . . 1.41 109.3 178.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.68 HG22 HD11 ' A' ' 17' ' ' ILE . 26.3 mt -60.63 -45.94 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.48 110.167 178.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.45 -33.51 9.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.211 -0.45 . . . . 1.29 111.023 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.24 -28.85 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 1.11 110.333 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.4 mm-40 -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 2.07 111.057 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -66.06 -32.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.771 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 -37.71 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.66 111.281 -179.69 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.98 -44.88 71.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 1.79 110.879 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.21 -52.02 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.63 111.025 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG3' HG21 ' B' ' 17' ' ' ILE . 7.7 tt0 -52.64 -33.59 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.291 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.13 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.65 111.13 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -69.19 -34.87 75.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.154 -179.871 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -69.75 -46.06 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 2.89 111.267 -179.65 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -55.34 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.81 111.253 -179.605 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -50.23 -43.68 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 2.54 110.459 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 HG23 ' B' ' 10' ' ' ILE . 5.2 mp -63.44 -37.86 88.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 1.35 110.114 179.213 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 24' ' ' ARG . 41.9 t -61.31 -46.91 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.79 110.361 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -32.47 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 2.23 109.714 179.064 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HB3' HD13 ' B' ' 6' ' ' ILE . 1.0 OUTLIER -68.99 -31.74 70.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.565 -0.743 . . . . 2.29 110.343 179.155 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.615 ' HB3' HD12 ' B' ' 6' ' ' ILE . 18.8 p-80 -138.19 74.14 42.98 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.297 -0.41 . . . . 2.47 110.99 179.541 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.16 -27.38 41.63 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.578 2.185 . . . . 2.23 112.354 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.58 110.932 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 5.51 110.898 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.97 154.01 17.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.796 -0.716 . . . . 3.11 112.424 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.79 80.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 1.66 112.492 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.69 16.78 9.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 2.59 111.412 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -54.18 -28.35 39.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.113 0.482 . . . . 2.22 110.142 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 31' ' ' HIS . 21.6 mt -79.99 -45.3 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.541 -0.754 . . . . 1.57 110.472 179.413 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.411 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -55.64 -32.44 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 1.94 110.704 179.627 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -76.01 -41.32 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 2.22 110.319 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -38.1 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.767 -0.651 . . . . 2.37 110.844 179.721 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.492 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.8 pt -71.08 -43.64 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 1.11 111.162 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.1 t0 -49.01 -35.0 14.34 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.388 0.613 . . . . 1.51 110.012 179.744 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.79 -48.57 68.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.406 -0.815 . . . . 1.44 109.463 178.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.662 HG22 HD11 ' B' ' 17' ' ' ILE . 29.4 mt -59.98 -44.59 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.471 -0.786 . . . . 0.55 110.17 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.3 t0 -48.6 -34.22 11.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.239 -0.437 . . . . 1.32 110.946 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.55 -28.8 61.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 1.19 110.305 179.405 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.4 mm-40 -84.95 -32.8 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 2.03 111.07 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.95 -31.97 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 1.06 110.725 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.23 -38.09 31.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 0.58 111.227 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.61 -44.12 69.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.58 111.013 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -69.44 -52.39 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.63 110.959 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.2 -32.09 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.98 111.262 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.31 63.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.62 111.13 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -72.53 -32.62 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.43 111.299 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.919 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.47 -47.17 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.353 -179.724 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -56.1 25.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.75 111.159 -179.527 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -49.59 -41.44 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.07 0.462 . . . . 2.89 110.276 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 13' ' ' ILE . 27.8 mt -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.079 179.081 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.919 HG23 ' O ' ' B' ' 24' ' ' ARG . 21.5 t -64.57 -46.64 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 121.018 0.437 . . . . 0.79 110.393 179.313 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -50.67 -30.71 14.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 2.33 110.045 179.32 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.12 -33.47 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.753 -0.658 . . . . 2.39 110.466 179.282 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.599 ' CE1' HG22 ' A' ' 6' ' ' ILE . 30.5 p-80 -133.44 68.37 76.74 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-O 120.984 0.421 . . . . 3.18 111.128 179.519 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.38 -27.18 13.6 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 2.31 112.326 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.287 -0.864 . . . . 5.81 110.904 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.879 0.371 . . . . 4.94 111.207 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.66 96.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.65 -0.786 . . . . 3.04 112.606 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.34 47.94 34.32 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.756 -0.735 . . . . 1.84 112.36 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -138.49 -83.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 2.71 110.965 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -145.46 -44.45 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 2.64 109.592 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' B' ' 31' ' ' HIS . 3.4 mt -63.82 -48.37 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.683 . . . . 1.8 109.897 178.882 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -49.71 -30.58 9.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.311 -0.859 . . . . 2.15 111.156 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -76.92 -36.12 56.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.09 0.471 . . . . 2.21 110.297 179.59 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD3' HD21 ' B' ' 27' ' ' LEU . 28.5 tttm -59.43 -42.06 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.652 . . . . 2.42 110.76 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -68.3 -43.01 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.95 111.222 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -48.15 -34.95 10.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.422 0.63 . . . . 1.48 109.962 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -46.85 71.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.855 . . . . 1.41 109.424 178.719 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' A' ' 17' ' ' ILE . 17.9 mt -59.99 -48.23 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.349 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.73 -31.97 7.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.004 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.6 -28.59 58.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 1.11 110.282 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.31 -34.99 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 2.07 111.03 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.4 mt -64.29 -33.13 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.94 110.786 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -37.69 34.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 0.66 111.236 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -44.22 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 1.79 110.825 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' B' ' 20' ' ' LEU . 7.7 mt -68.7 -50.13 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.63 110.914 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.52 -34.83 38.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 1.99 111.18 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.003 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HD13 ' B' ' 13' ' ' ILE . 11.9 mtpp -66.05 -31.61 72.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 1.53 111.002 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -74.49 -46.01 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 2.89 111.12 -179.798 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -55.59 31.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.119 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.47 -42.67 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.091 0.472 . . . . 2.54 110.403 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 16.9 mt -63.86 -36.72 84.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.112 179.139 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 24' ' ' ARG . 37.5 t -64.46 -46.19 93.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 116.134 -0.485 . . . . 0.79 110.337 179.202 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.49 -30.85 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 2.23 110.079 179.18 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -74.61 -30.22 61.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.676 -0.693 . . . . 2.29 110.501 179.317 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' B' ' 6' ' ' ILE . 47.1 p-80 -144.06 63.21 11.3 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 120.843 0.354 . . . . 2.47 111.03 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.56 -28.78 11.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.222 . . . . 2.23 112.346 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 5.58 110.842 -179.922 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.854 0.359 . . . . 5.51 110.858 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.75 -162.3 33.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 3.11 112.443 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.2 12.97 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.859 -0.686 . . . . 1.66 112.498 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -128.83 -84.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.098 0.475 . . . . 2.59 111.053 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.19 -45.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 2.22 109.431 179.616 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.5 mt -63.35 -49.8 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 115.613 -0.721 . . . . 1.57 109.554 178.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -32.99 64.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.082 -0.963 . . . . 1.94 111.052 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.08 -34.87 59.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 2.22 110.399 179.731 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.55 91.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.919 -0.582 . . . . 2.37 110.811 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.8 pt -71.84 -43.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 1.11 111.238 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.5 m-20 -50.55 -34.06 24.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.341 0.591 . . . . 1.51 109.895 179.725 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.09 -47.77 70.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.326 178.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' B' ' 17' ' ' ILE . 20.6 mt -60.27 -46.92 94.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.419 -0.809 . . . . 0.55 110.293 178.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.0 t0 -48.18 -32.65 7.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.343 -0.389 . . . . 1.32 111.083 179.598 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -29.06 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.19 110.394 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.65 -34.84 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 2.03 111.041 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.65 -34.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 1.06 110.698 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.56 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.36 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.8 -48.86 72.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 1.58 110.79 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -62.7 -51.77 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.63 110.979 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.81 -30.24 9.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.465 . . . . 1.98 111.089 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.22 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.62 110.834 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 13' ' ' ILE . 19.9 mmtt -66.96 -34.13 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 1.43 111.116 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.245 -179.711 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -54.27 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.362 . . . . 0.75 111.229 -179.622 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.0 ptt85 -51.3 -44.42 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 2.89 110.513 -179.724 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.504 HD21 ' HD3' ' A' ' 9' ' ' LYS . 2.1 mp -62.54 -35.87 80.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 1.38 110.079 179.148 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -64.28 -45.38 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.187 179.443 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.17 -30.51 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 2.33 109.978 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.27 -29.73 60.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.734 -0.666 . . . . 2.39 110.493 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.484 ' HB3' HD12 ' A' ' 6' ' ' ILE . 53.7 p-80 -141.89 63.0 15.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.339 -0.391 . . . . 3.18 111.043 179.708 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.18 -27.23 29.48 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.632 2.222 . . . . 2.31 112.323 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.203 -0.903 . . . . 5.81 110.866 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.783 0.325 . . . . 4.94 111.216 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.25 96.87 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 3.04 112.456 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.29 97.51 2.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 1.84 112.407 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.91 16.52 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 2.71 111.452 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -26.41 41.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.119 0.485 . . . . 2.64 110.204 179.642 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.827 HG23 HD22 ' B' ' 27' ' ' LEU . 23.3 mt -78.92 -45.18 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.575 -0.739 . . . . 1.8 110.361 179.465 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.28 -29.91 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.663 -0.698 . . . . 2.15 110.698 179.624 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.42 -38.48 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 2.21 110.206 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -37.19 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.663 . . . . 2.42 110.672 179.798 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' ASP . 17.6 pt -70.42 -43.48 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.078 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.9 t0 -50.08 -34.39 21.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.382 0.61 . . . . 1.48 109.809 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.54 -46.79 74.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.344 -0.844 . . . . 1.41 109.368 178.76 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 mt -61.33 -46.29 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.125 178.899 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -48.39 -32.21 7.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.941 179.535 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -29.24 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.315 179.514 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.1 mm-40 -84.92 -32.14 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.576 . . . . 2.07 111.044 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -66.14 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.106 0.479 . . . . 0.94 110.673 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.01 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.711 . . . . 0.66 111.186 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -44.0 70.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 1.79 110.837 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.83 -50.62 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.63 110.83 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -34.73 34.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.022 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.52 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.902 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -66.97 -35.74 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 1.53 111.039 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -67.06 -46.71 73.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 2.89 111.101 -179.899 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -54.42 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.287 -179.616 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.7 ptm85 -50.53 -44.8 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.042 0.449 . . . . 2.54 110.375 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.8 -36.79 79.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.925 -0.58 . . . . 1.35 109.941 178.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.0 t -65.68 -43.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.066 -0.515 . . . . 0.79 110.159 179.193 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -28.89 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 2.23 109.933 179.041 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.34 -33.09 55.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 2.29 110.546 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.687 ' HB3' HD12 ' B' ' 6' ' ' ILE . 28.9 p-80 -133.15 59.63 43.28 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.379 -0.373 . . . . 2.47 111.077 179.637 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -77.9 174.62 12.28 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.638 2.225 . . . . 2.23 112.389 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.288 0 CA-C-N 116.15 -0.477 . . . . 5.58 111.476 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.826 0.346 . . . . 5.51 110.912 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.71 -53.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 3.11 112.441 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.41 -133.6 6.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 1.66 112.551 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -93.65 14.57 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.676 0.274 . . . . 2.59 111.345 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.03 -28.85 26.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.197 0.522 . . . . 2.22 110.029 179.649 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.687 HD12 ' HB3' ' A' ' 31' ' ' HIS . 25.7 mt -79.63 -44.72 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.471 -0.786 . . . . 1.57 110.372 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 2.5 tt0 -55.43 -28.66 55.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.635 -0.711 . . . . 1.94 110.636 179.492 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -40.44 29.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 2.22 110.175 179.464 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.75 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.734 179.725 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.3 pt -70.99 -43.58 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 1.11 111.07 179.768 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.421 ' N ' HG13 ' B' ' 10' ' ' ILE . 77.7 m-20 -50.52 -34.57 25.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.398 0.618 . . . . 1.51 109.805 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.23 -45.8 79.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.261 -0.881 . . . . 1.44 109.163 178.691 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.673 HG22 HD11 ' B' ' 17' ' ' ILE . 35.5 mt -61.13 -46.32 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.401 -0.818 . . . . 0.55 110.099 178.851 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.4 t0 -48.32 -32.24 7.14 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.32 110.955 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.67 -28.74 56.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.488 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -84.74 -32.32 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 2.03 110.92 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -65.81 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 1.06 110.626 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.78 47.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.632 -0.713 . . . . 0.58 111.454 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.86 -45.18 70.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 1.58 110.882 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 4.5 mt -66.67 -51.27 58.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.869 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -35.41 25.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 1.98 111.157 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.55 74.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.62 110.993 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.559 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.8 mtpp -65.5 -33.13 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.006 -0.543 . . . . 1.43 111.043 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.5 mtp-105 -71.39 -44.7 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 2.28 111.185 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -55.48 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.75 111.052 -179.723 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -49.52 -42.09 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 2.89 110.336 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.827 HD22 HG23 ' A' ' 6' ' ' ILE . 12.0 mt -64.51 -39.25 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.922 -0.581 . . . . 1.38 109.976 179.118 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.0 t -61.69 -42.48 94.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.79 110.226 179.311 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -35.0 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.877 -0.601 . . . . 2.33 109.655 179.168 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -67.9 -31.43 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.671 -0.695 . . . . 2.39 110.298 179.04 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.656 ' CE1' HG22 ' A' ' 6' ' ' ILE . 26.5 p-80 -137.83 81.27 28.7 Favored Pre-proline 0 C--N 1.333 -0.123 0 CA-C-N 116.304 -0.407 . . . . 3.18 111.058 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.06 -168.03 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.621 2.214 . . . . 2.31 112.258 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.176 -0.916 . . . . 5.81 110.925 -179.961 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.817 0.342 . . . . 4.94 111.199 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.78 -143.08 14.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 3.04 112.502 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.41 33.31 24.41 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.748 -0.739 . . . . 1.84 112.205 -179.766 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -119.47 -84.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 2.71 111.165 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -144.75 -45.05 0.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 2.64 109.465 179.735 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.64 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.62 -52.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 1.8 109.541 178.719 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.25 -33.32 65.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.114 -0.948 . . . . 2.15 111.03 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -78.07 -36.34 48.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 2.21 110.69 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -40.16 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.772 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 27' ' ' LEU . 17.5 pt -69.9 -42.84 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.301 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -50.06 -34.03 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.307 0.575 . . . . 1.48 110.039 179.768 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -47.22 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.276 178.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' B' ' 23' ' ' LYS . 29.1 mt -60.54 -46.8 94.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 0.48 110.238 178.899 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.54 -33.04 8.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.338 -0.392 . . . . 1.29 111.006 179.588 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.7 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 1.11 110.341 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.13 -35.04 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.605 . . . . 2.07 111.058 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -63.91 -32.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.94 110.802 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.84 -37.85 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.66 111.182 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.77 -43.35 69.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 1.79 110.893 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 11.7 mt -70.34 -53.32 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.899 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.54 40.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.228 -179.775 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.77 64.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.65 111.096 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -74.24 -32.38 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.12 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.1 ttt-85 -72.5 -41.29 66.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.135 -179.725 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -55.74 16.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.392 . . . . 0.81 111.38 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -48.87 -42.83 37.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.076 0.465 . . . . 2.54 110.415 -179.818 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 HG23 ' B' ' 10' ' ' ILE . 4.8 mp -62.14 -38.91 90.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.816 -0.629 . . . . 1.35 109.868 178.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.1 t -62.79 -45.54 98.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.068 -0.515 . . . . 0.79 110.202 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.23 -28.13 17.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.85 -0.614 . . . . 2.23 109.91 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -76.23 -30.6 57.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.639 -0.709 . . . . 2.29 110.427 179.307 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.624 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.5 p-80 -137.71 62.84 37.11 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.859 0.361 . . . . 2.47 110.992 179.631 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.35 -28.51 10.34 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.652 2.235 . . . . 2.23 112.375 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 5.58 110.905 -179.978 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.339 . . . . 5.51 110.915 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.34 -155.95 6.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 3.11 112.477 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.02 -143.03 14.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 1.66 112.546 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.93 13.35 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.674 0.273 . . . . 2.59 111.378 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -28.83 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 2.22 110.004 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' A' ' 31' ' ' HIS . 27.1 mt -78.1 -44.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.455 -0.793 . . . . 1.57 110.218 179.072 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.69 -29.2 62.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 1.94 110.796 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.9 -43.85 24.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.204 0.526 . . . . 2.22 110.27 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -35.08 74.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.828 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.437 HG23 HD23 ' A' ' 27' ' ' LEU . 20.6 pt -71.85 -43.79 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.418 -0.356 . . . . 1.11 111.135 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.9 t70 -48.86 -34.69 13.06 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.308 0.575 . . . . 1.51 109.738 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.02 -48.24 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 1.44 109.529 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' B' ' 17' ' ' ILE . 35.0 mt -60.16 -47.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 0.55 110.362 179.129 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.11 -33.4 8.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.934 0.397 . . . . 1.32 111.113 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.31 -29.05 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 1.19 110.38 179.643 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.4 mt-10 -84.5 -33.67 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 2.03 110.98 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.78 -32.92 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.758 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.12 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.401 -179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -45.69 72.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.58 110.969 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -66.52 -52.07 49.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.973 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -34.53 19.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 1.98 111.171 -179.713 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.09 71.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 0.62 110.996 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -67.0 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.43 111.121 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.922 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -74.81 -48.07 27.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.206 -179.761 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -53.33 59.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.75 111.28 -179.574 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.73 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 2.89 110.457 -179.866 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 10' ' ' ILE . 8.9 mt -62.53 -34.95 77.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 1.38 110.165 179.243 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.922 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.1 t -65.43 -45.77 92.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.79 110.298 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -51.14 -31.29 19.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.875 -0.602 . . . . 2.33 109.958 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.432 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.64 ' CE1' HG22 ' A' ' 6' ' ' ILE . 48.5 p-80 -142.56 64.51 15.93 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.069 179.773 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 -38.68 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.57 2.18 . . . . 2.31 112.377 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.226 -0.892 . . . . 5.81 110.84 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.82 0.343 . . . . 4.94 111.176 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.81 172.8 47.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 3.04 112.499 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.45 37.98 10.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 1.84 112.465 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.65 17.07 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 2.71 111.448 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -28.4 43.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.137 0.494 . . . . 2.64 110.085 179.62 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.6 mp -78.52 -45.92 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.491 -0.777 . . . . 1.8 110.341 179.344 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.54 -24.85 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 2.15 110.907 179.647 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -78.34 -42.0 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 2.21 110.413 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -61.37 -37.12 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 2.42 110.887 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.68 -43.42 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.95 111.16 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 27.5 t0 -50.12 -34.49 22.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.937 179.682 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.59 -47.72 71.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.409 -0.814 . . . . 1.41 109.335 178.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 17' ' ' ILE . 22.2 mt -60.63 -46.84 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.4 -0.818 . . . . 0.48 110.253 178.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.902 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.18 -32.28 6.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.307 -0.406 . . . . 1.29 111.074 179.559 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -29.27 58.01 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.152 -0.476 . . . . 1.11 110.429 179.541 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.41 -34.07 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.077 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -64.66 -34.58 70.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.797 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.45 -37.52 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.399 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 1.79 110.815 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -66.53 -50.68 62.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.63 111.001 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.92 -36.11 26.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 1.99 111.179 -179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.49 79.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.936 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.795 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -63.43 -34.76 78.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 1.53 111.008 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -71.67 -46.63 58.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 2.89 111.206 -179.649 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -55.54 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.315 -179.521 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.794 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.19 -44.43 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 2.54 110.425 -179.774 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.794 HD12 ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -62.1 -37.68 85.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 1.35 109.957 179.085 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.4 t -61.83 -44.32 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.983 0.42 . . . . 0.79 110.145 179.336 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -32.28 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 2.23 109.753 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.2 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 2.29 110.304 179.085 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' HB3' HD13 ' B' ' 6' ' ' ILE . 24.0 p-80 -137.6 71.32 51.59 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.37 -0.377 . . . . 2.47 110.978 179.6 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.53 60.33 5.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.607 2.204 . . . . 2.23 112.432 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 5.58 110.911 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.847 0.356 . . . . 5.51 110.841 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.68 69.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 3.11 112.478 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.58 42.71 2.17 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 1.66 112.568 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 62.26 17.52 9.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 2.59 111.411 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.98 -29.99 45.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.483 . . . . 2.22 110.078 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.66 ' CG2' HD23 ' A' ' 27' ' ' LEU . 2.6 mt -81.01 -44.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.536 -0.756 . . . . 1.57 110.284 179.352 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 10' ' ' ILE . 11.5 tt0 -55.87 -26.04 45.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.7 . . . . 1.94 110.849 179.628 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -79.0 -43.24 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 2.22 110.246 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -37.08 79.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.681 -0.69 . . . . 2.37 110.791 179.701 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.481 HG23 HD22 ' A' ' 27' ' ' LEU . 18.0 pt -69.88 -43.41 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.294 -0.412 . . . . 1.11 111.183 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.9 t70 -48.87 -35.07 13.91 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.394 0.616 . . . . 1.51 109.791 179.59 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.48 -47.93 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.366 -0.834 . . . . 1.44 109.437 178.809 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.4 mt -60.1 -46.5 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.55 110.306 178.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.59 -32.2 7.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.261 -0.427 . . . . 1.32 110.944 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.73 -28.86 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 1.19 110.358 179.437 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.3 mt-10 -85.08 -34.09 22.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 2.03 111.08 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -64.81 -33.87 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 1.06 110.678 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -36.06 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.781 -0.645 . . . . 0.58 111.198 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.21 -46.1 72.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 1.58 110.756 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.04 -49.76 64.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.726 179.755 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.71 -34.25 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.011 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.58 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.62 110.997 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.549 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.2 mttp -65.83 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.43 110.901 179.881 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.916 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -71.27 -44.72 64.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 2.28 111.057 -179.893 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.81 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.022 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.8 ptp180 -49.93 -42.63 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 2.89 110.239 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 23' ' ' LYS . 7.5 mt -63.44 -38.81 92.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.827 -0.624 . . . . 1.38 109.976 179.081 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.916 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -63.33 -45.54 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.79 110.159 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -51.83 -28.99 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 2.33 109.892 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.76 61.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.68 . . . . 2.39 110.399 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.624 ' CE1' HG22 ' A' ' 6' ' ' ILE . 31.8 p-80 -140.94 61.73 15.33 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.286 -0.416 . . . . 3.18 111.002 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.99 -37.31 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.638 2.225 . . . . 2.31 112.443 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 5.81 110.945 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.776 0.322 . . . . 4.94 111.242 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.52 -42.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 3.04 112.532 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.62 44.84 30.05 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.768 -0.729 . . . . 1.84 112.285 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -132.94 -83.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.967 0.413 . . . . 2.71 111.047 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.13 -44.78 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.782 -0.644 . . . . 2.64 109.506 179.67 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.7 mt -63.53 -49.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.607 -0.724 . . . . 1.8 109.811 178.81 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -52.79 -26.66 15.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.265 -0.879 . . . . 2.15 111.085 179.745 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -80.56 -39.18 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 2.21 110.231 179.512 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.98 -35.53 77.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 2.42 110.709 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.589 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 25.8 pt -70.89 -44.18 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.95 111.223 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -49.84 -33.8 17.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.418 0.627 . . . . 1.48 109.868 179.541 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.24 -44.97 74.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.858 . . . . 1.41 109.481 178.828 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 17' ' ' ILE . 21.5 mt -61.96 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.414 179.086 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 10.0 t70 -48.03 -32.27 6.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.381 -0.372 . . . . 1.29 111.107 179.663 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.44 -28.39 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.11 110.253 179.474 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm-40 -85.19 -36.71 20.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 2.07 110.937 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.9 mt -60.79 -34.96 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.194 0.521 . . . . 0.94 110.528 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.4 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.66 111.217 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.44 73.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.79 110.808 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' B' ' 20' ' ' LEU . 8.4 mt -67.11 -50.9 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.63 110.863 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -50.53 -31.25 15.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 1.99 110.969 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.67 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.786 179.743 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -68.96 -35.75 77.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 1.53 110.856 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.889 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -69.12 -43.17 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 2.89 110.976 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -54.55 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.81 111.31 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -49.13 -43.91 42.02 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.011 0.434 . . . . 2.54 110.473 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.7 mp -62.22 -38.28 88.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.624 . . . . 1.35 109.896 179.085 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.2 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.086 -0.507 . . . . 0.79 110.129 179.243 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.43 -31.28 33.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.885 -0.598 . . . . 2.23 109.784 178.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -72.42 -31.35 65.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.589 -0.732 . . . . 2.29 110.39 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' HB3' HD12 ' B' ' 6' ' ' ILE . 21.0 p-80 -137.82 69.34 51.24 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-N 116.351 -0.386 . . . . 2.47 110.969 179.509 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.44 -26.23 82.29 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.62 2.213 . . . . 2.23 112.364 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 5.58 110.923 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.344 . . . . 5.51 110.857 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.79 -133.21 11.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 3.11 112.46 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.24 -137.28 13.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 1.66 112.489 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -118.62 14.69 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.71 0.29 . . . . 2.59 111.342 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.76 -29.57 27.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 2.22 110.079 179.617 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 31' ' ' HIS . 26.6 mt -80.08 -44.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 1.57 110.309 179.138 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' O ' HG13 ' B' ' 10' ' ' ILE . 5.1 tt0 -55.26 -27.72 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.549 -0.751 . . . . 1.94 110.688 179.51 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -79.06 -43.39 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 2.22 110.125 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.32 -36.36 77.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.715 . . . . 2.37 110.808 179.682 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 pt -70.9 -43.61 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.359 -0.382 . . . . 1.11 111.068 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.35 -34.7 11.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.313 0.578 . . . . 1.51 109.817 179.574 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 3.0 m-20 -67.7 -47.35 69.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.274 -0.875 . . . . 1.44 109.619 178.816 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 17' ' ' ILE . 32.6 mt -60.83 -48.07 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.55 110.343 179.124 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.61 -32.33 8.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 1.32 110.962 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -28.7 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 1.19 110.324 179.567 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.0 mm-40 -84.25 -34.49 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.826 -0.624 . . . . 2.03 110.836 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 13.7 mt -63.23 -35.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.619 179.765 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.76 -34.93 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.635 -0.712 . . . . 0.58 111.159 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -44.61 73.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.58 110.936 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' A' ' 20' ' ' LEU . 8.2 mt -68.2 -50.73 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.852 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.3 16.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 1.98 111.163 -179.869 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.7 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.62 111.001 179.87 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.931 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.8 tpt85 -64.8 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 2.28 111.125 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -59.11 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.75 111.451 -179.721 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 1.2 ptm180 -47.57 -33.54 6.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.924 0.392 . . . . 2.89 110.563 -179.754 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' ILE . 10.1 mt -70.04 -40.99 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 1.38 109.773 178.843 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.6 t -60.83 -50.69 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.882 -0.599 . . . . 0.79 110.266 179.081 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.5 -30.01 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 2.33 109.877 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -70.04 -29.97 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.308 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.471 ' CE1' HG22 ' A' ' 6' ' ' ILE . 56.3 p-80 -139.57 72.15 36.95 Favored Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 3.18 110.993 179.644 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.87 -167.74 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.648 2.232 . . . . 2.31 112.317 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 5.81 110.874 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.818 0.342 . . . . 4.94 111.218 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.09 -129.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 3.04 112.469 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.47 35.68 10.75 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.842 -0.695 . . . . 1.84 112.359 -179.784 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -122.77 -83.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.001 0.429 . . . . 2.71 111.054 -179.42 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -145.68 -45.12 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 2.64 109.584 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.558 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -64.86 -50.84 73.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 1.8 109.792 178.808 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -33.86 43.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.135 -0.939 . . . . 2.15 111.062 179.796 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -35.77 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.987 0.422 . . . . 2.21 110.518 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.15 -41.05 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 2.42 110.816 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' B' ' 27' ' ' LEU . 17.7 pt -70.35 -42.76 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.19 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -34.37 12.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.394 0.616 . . . . 1.48 110.027 179.549 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 79.7 m-20 -67.81 -47.96 67.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.852 . . . . 1.41 109.444 178.776 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 18.6 mt -59.24 -48.14 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.537 -0.756 . . . . 0.48 110.346 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.88 -32.42 8.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.283 -0.417 . . . . 1.29 111.016 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.83 -28.33 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 1.11 110.35 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.7 mt-10 -85.52 -36.18 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.592 . . . . 2.07 111.056 -179.853 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.903 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.2 mt -63.11 -32.29 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.94 110.795 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.2 -38.32 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.66 111.237 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -43.55 68.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 1.79 110.923 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.42 -51.3 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.63 110.911 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -36.32 43.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.102 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.33 -31.73 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.868 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.58 -35.26 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 1.53 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -69.26 -45.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 2.89 111.184 -179.828 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -56.61 14.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.238 -179.677 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.561 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.39 -43.48 44.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.116 0.484 . . . . 2.54 110.336 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' CD ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -62.18 -38.31 88.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 1.35 110.021 179.075 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 24' ' ' ARG . 53.1 t -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.104 -0.498 . . . . 0.79 110.219 179.35 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -52.0 -31.39 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 2.23 109.717 178.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -70.65 -30.59 67.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.52 -0.764 . . . . 2.29 110.447 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.606 ' CE1' HG22 ' B' ' 6' ' ' ILE . 25.6 p-80 -137.42 71.64 52.45 Favored Pre-proline 0 CA--C 1.528 0.133 0 CA-C-N 116.376 -0.374 . . . . 2.47 111.077 179.541 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.61 158.27 43.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.581 2.187 . . . . 2.23 112.379 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 116.114 -0.494 . . . . 5.58 111.631 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.793 0.33 . . . . 5.51 110.934 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.28 71.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 3.11 112.48 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.05 -125.2 5.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 1.66 112.576 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.11 13.64 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.685 0.278 . . . . 2.59 111.401 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -29.43 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.202 0.525 . . . . 2.22 110.08 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.606 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mp -79.51 -44.05 23.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.441 -0.8 . . . . 1.57 110.292 179.3 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.22 -27.16 53.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 1.94 110.757 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -80.85 -41.61 22.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 2.22 110.169 179.427 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -34.81 76.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.692 179.656 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.471 HG23 HD23 ' A' ' 27' ' ' LEU . 18.6 pt -71.02 -43.84 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 1.11 111.2 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 10.3 m-20 -49.89 -35.04 22.08 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.372 0.606 . . . . 1.51 109.697 179.476 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -45.69 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.203 -0.908 . . . . 1.44 109.129 178.679 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 23' ' ' LYS . 27.0 mt -61.31 -46.47 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 0.55 110.141 178.929 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.909 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.0 -32.49 6.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.0 179.588 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -29.5 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.19 110.37 179.582 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.9 mt-10 -84.11 -33.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 2.03 111.033 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.909 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.28 -34.82 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 1.06 110.79 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.12 48.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.644 -0.707 . . . . 0.58 111.256 -179.834 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -48.69 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 1.58 110.781 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -62.6 -51.75 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.63 110.918 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -48.81 -30.74 6.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.029 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.83 -33.09 63.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.62 110.777 179.624 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.522 ' CB ' HD13 ' A' ' 13' ' ' ILE . 15.2 mmtp -66.42 -33.58 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.517 . . . . 1.43 111.005 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.929 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.2 mtp180 -73.13 -46.67 49.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 2.28 111.236 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -52.41 65.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.249 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -51.8 -46.35 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 2.89 110.457 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 10' ' ' ILE . 6.4 mp -63.08 -35.69 81.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 1.38 110.188 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.1 t -62.6 -46.56 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.961 0.41 . . . . 0.79 110.234 179.451 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -51.95 -31.58 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.85 179.14 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -30.11 64.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.485 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 6' ' ' ILE . 35.9 p-80 -145.54 67.15 12.63 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-N 116.317 -0.401 . . . . 3.18 111.125 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.58 60.82 5.18 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.584 2.19 . . . . 2.31 112.435 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.274 -0.869 . . . . 5.81 110.919 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.794 0.33 . . . . 4.94 111.181 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 7' ' ' GLU . . . -84.81 -79.37 1.12 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.739 -0.743 . . . . 3.04 112.567 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.55 56.41 9.61 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.813 -0.708 . . . . 1.84 112.335 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -141.1 -83.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.027 0.442 . . . . 2.71 110.883 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.9 -43.07 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.692 -0.685 . . . . 2.64 109.386 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.532 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.8 mt -64.82 -51.03 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.512 -0.767 . . . . 1.8 109.666 178.814 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 0.3 OUTLIER -52.17 -35.29 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.158 -0.928 . . . . 2.15 111.19 179.781 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.1 -31.72 56.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 2.21 110.594 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -40.41 93.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.555 . . . . 2.42 110.797 179.833 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 17.4 pt -70.16 -43.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.95 111.252 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.31 -34.44 15.6 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.412 0.625 . . . . 1.48 110.041 179.642 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -68.02 -46.03 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.329 -0.85 . . . . 1.41 109.387 178.853 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 12.8 mt -60.77 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.556 -0.747 . . . . 0.48 110.327 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.1 t0 -48.54 -32.13 7.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 1.29 110.992 179.615 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -28.46 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.11 110.358 179.619 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 7.4 mm-40 -85.54 -35.42 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 2.07 111.002 -179.714 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -63.28 -33.98 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.94 110.628 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.82 34.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.66 111.195 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -45.14 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 1.79 110.845 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 9.3 mt -67.16 -51.18 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.63 110.807 179.843 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -49.7 -34.8 19.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.99 111.067 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.09 64.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.65 110.836 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' B' ' 13' ' ' ILE . 6.3 mttm -68.61 -31.2 70.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 1.53 111.007 179.904 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -72.63 -41.96 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 2.89 111.107 -179.83 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -56.6 11.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.453 -179.593 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.12 -40.63 33.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.926 0.393 . . . . 2.54 110.467 -179.698 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD22 HG23 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -63.63 -40.16 96.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 1.35 109.681 178.703 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 24' ' ' ARG . 36.7 t -61.76 -43.64 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.79 110.152 179.134 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -29.84 27.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 2.23 109.859 179.076 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -75.93 -29.84 58.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.66 -0.7 . . . . 2.29 110.521 179.228 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.1 p-80 -139.19 60.32 17.07 Favored Pre-proline 0 CA--C 1.529 0.149 0 CA-C-N 116.348 -0.387 . . . . 2.47 111.056 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.69 -34.29 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.666 2.244 . . . . 2.23 112.392 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.088 -0.505 . . . . 5.58 110.877 -179.922 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 5.51 110.912 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.59 -92.13 2.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 3.11 112.541 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 46.94 37.51 9.56 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.852 -0.69 . . . . 1.66 112.192 -179.769 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -123.07 -84.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.14 0.495 . . . . 2.59 111.064 -179.248 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -141.46 -44.8 0.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.659 -0.7 . . . . 2.22 109.411 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -62.6 -48.16 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.57 109.871 178.756 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -32.84 54.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.324 -0.853 . . . . 1.94 111.025 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.29 -37.37 37.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 2.22 110.3 179.435 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -62.46 -37.52 86.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.635 . . . . 2.37 110.647 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 27' ' ' LEU . 17.3 pt -70.94 -43.35 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.11 111.113 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -34.69 19.69 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.45 0.643 . . . . 1.51 109.804 179.51 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.83 -45.71 77.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.271 -0.877 . . . . 1.44 109.198 178.72 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 21.9 mt -60.71 -47.45 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.478 -0.783 . . . . 0.55 110.2 178.903 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.5 t0 -48.57 -31.72 6.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.246 -0.434 . . . . 1.32 110.986 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -28.86 56.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.19 110.346 179.562 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.7 mt-10 -84.77 -34.19 22.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 2.03 111.017 -179.844 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.41 -35.3 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 1.06 110.703 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.58 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.58 111.234 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.8 -48.41 72.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.58 110.728 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 8.9 mt -62.95 -51.44 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.63 110.844 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.67 -31.46 6.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 1.98 110.959 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.99 64.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.62 110.791 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' B' ' 27' ' ' LEU . 32.4 mmtt -66.61 -32.69 74.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 1.43 111.12 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.1 mtp180 -72.33 -46.88 53.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 2.28 111.21 -179.857 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.75 111.115 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -51.94 -44.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 2.89 110.551 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -63.52 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.38 110.299 179.297 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.7 t -65.11 -46.6 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.207 179.282 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -30.21 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 2.33 109.933 179.101 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.53 -30.58 63.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.354 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.532 ' CE1' HG22 ' A' ' 6' ' ' ILE . 55.9 p-80 -144.88 64.47 11.34 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.22 -0.446 . . . . 3.18 111.002 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.97 -29.24 12.25 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.567 2.178 . . . . 2.31 112.361 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.195 -0.907 . . . . 5.81 110.916 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.8 0.333 . . . . 4.94 111.199 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.9 132.9 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 3.04 112.532 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.32 -131.36 24.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.665 -0.779 . . . . 1.84 112.474 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.1 14.09 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.683 0.278 . . . . 2.71 111.383 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -28.18 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.192 0.52 . . . . 2.64 109.959 179.592 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.641 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.6 mp -78.66 -45.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.376 -0.829 . . . . 1.8 110.238 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 2.15 111.015 179.775 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -77.37 -40.34 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.488 . . . . 2.21 110.175 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -61.05 -39.81 91.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.644 . . . . 2.42 110.706 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.522 HG23 HD23 ' B' ' 27' ' ' LEU . 16.4 pt -69.8 -42.96 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.245 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -48.48 -35.61 13.38 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.424 0.63 . . . . 1.48 109.774 179.612 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 10.4 t0 -67.23 -45.15 77.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.196 -0.911 . . . . 1.41 109.301 178.653 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.638 HG22 HD11 ' A' ' 17' ' ' ILE . 11.1 mt -60.62 -47.68 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.433 -0.803 . . . . 0.48 110.318 178.891 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.889 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.4 t0 -47.73 -34.03 7.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.264 -0.425 . . . . 1.29 111.155 179.729 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -74.74 -28.74 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 1.11 110.439 179.723 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.0 mt-10 -85.86 -34.46 21.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.614 . . . . 2.07 111.146 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -64.05 -31.87 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.94 110.659 179.88 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.41 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.66 111.304 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.5 -43.36 68.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 1.79 111.005 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.58 -52.43 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.63 111.068 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -52.07 -33.84 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 1.99 111.225 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.27 -32.4 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.131 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.2 mtpp -70.95 -32.41 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.53 111.113 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.34 -47.09 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 2.89 111.19 -179.837 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -54.66 43.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.81 111.089 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.6 ptp180 -50.37 -43.74 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 2.54 110.32 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 HD12 ' B' ' 13' ' ' ILE . 22.4 mt -62.62 -37.27 85.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.837 -0.62 . . . . 1.35 110.057 179.069 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 24' ' ' ARG . 22.8 t -65.67 -44.93 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.79 110.227 179.273 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -51.07 -29.86 14.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.826 -0.624 . . . . 2.23 110.021 179.182 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 -33.44 61.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 2.29 110.34 179.21 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.4 p-80 -136.91 63.85 46.79 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.893 0.378 . . . . 2.47 111.073 179.618 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.03 173.9 12.14 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.585 2.19 . . . . 2.23 112.281 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 5.58 110.861 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.356 . . . . 5.51 110.904 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.4 54.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 3.11 112.517 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.29 -78.19 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 1.66 112.437 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.57 14.99 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.696 0.284 . . . . 2.59 111.298 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -53.03 -29.08 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 2.22 110.089 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.629 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.7 mt -79.62 -45.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.419 -0.809 . . . . 1.57 110.355 179.199 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.03 -30.14 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 1.94 110.719 179.601 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -39.58 41.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 2.22 110.183 179.482 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.11 -37.76 88.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 2.37 110.643 179.592 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.443 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -71.32 -42.94 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.11 111.195 179.835 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.443 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -50.76 -34.1 25.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.378 0.608 . . . . 1.51 109.913 179.672 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.6 -46.43 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.321 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.698 HG22 HD11 ' B' ' 17' ' ' ILE . 20.7 mt -60.83 -46.9 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.469 -0.787 . . . . 0.55 110.214 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 12.5 t0 -48.44 -33.46 9.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 1.32 111.097 179.626 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -28.41 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 1.19 110.445 179.54 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -85.45 -34.01 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 2.03 111.04 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.07 -33.84 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.606 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.11 34.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.638 . . . . 0.58 111.219 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -39.74 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 1.58 111.214 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 20' ' ' LEU . 13.3 mt -72.12 -55.83 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.181 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -49.41 -47.36 48.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 1.98 111.195 -179.768 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.25 76.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.993 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -68.09 -35.18 77.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 1.43 110.974 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' B' ' 28' ' ' VAL . 15.9 ttt180 -74.98 -42.27 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 2.28 111.286 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -55.77 26.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.75 110.974 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.57 -42.31 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 2.89 110.341 179.942 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.522 HD23 HG23 ' A' ' 10' ' ' ILE . 3.4 mp -62.42 -37.75 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 1.38 109.878 178.842 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.1 t -64.3 -46.17 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.276 179.238 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -28.14 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 2.33 110.017 179.011 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -76.32 -31.3 58.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.673 -0.694 . . . . 2.39 110.489 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.641 ' CE1' HG22 ' A' ' 6' ' ' ILE . 37.9 p-80 -138.51 61.09 22.91 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.344 -0.389 . . . . 3.18 111.017 179.61 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.85 -26.69 5.31 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.594 2.196 . . . . 2.31 112.401 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 5.81 110.889 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.839 0.352 . . . . 4.94 111.192 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.56 -66.64 1.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.716 -0.754 . . . . 3.04 112.533 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.07 94.39 0.01 OUTLIER Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.808 -0.711 . . . . 1.84 112.321 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -161.16 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.148 0.499 . . . . 2.71 110.885 -179.213 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -146.95 -44.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.544 -0.753 . . . . 2.64 109.328 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -64.48 -50.49 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 1.8 109.631 178.59 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -30.37 61.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.125 -0.943 . . . . 2.15 110.986 179.796 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.05 -37.44 46.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.006 0.431 . . . . 2.21 110.551 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -58.95 -41.01 86.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.892 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -68.14 -43.01 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.95 111.168 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.3 t0 -48.92 -34.54 13.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.433 0.635 . . . . 1.48 110.041 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.92 -48.59 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.381 -0.827 . . . . 1.41 109.412 178.922 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' B' ' 23' ' ' LYS . 22.9 mt -60.05 -46.72 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.48 110.157 178.954 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.5 -32.17 7.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.414 . . . . 1.29 110.95 179.656 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -29.3 59.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.358 179.535 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.0 mt-10 -85.0 -33.21 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 2.07 111.038 -179.9 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.3 mt -65.6 -33.32 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.075 0.464 . . . . 0.94 110.716 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.87 -36.95 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.772 -0.649 . . . . 0.66 111.222 -179.834 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.939 0.399 . . . . 1.79 110.797 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' B' ' 20' ' ' LEU . 6.7 mt -69.3 -49.03 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.68 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -52.23 -36.12 51.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.99 111.006 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.34 91.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.65 110.984 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -65.18 -32.7 74.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.53 110.907 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.893 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -72.13 -41.06 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 2.89 110.94 -179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -56.81 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.284 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -37.15 20.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.987 0.423 . . . . 2.54 110.512 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD12 ' B' ' 13' ' ' ILE . 13.7 mt -66.78 -38.92 87.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.35 109.682 178.718 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 24' ' ' ARG . 25.0 t -64.42 -44.21 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 115.849 -0.614 . . . . 0.79 110.172 179.057 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.74 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 2.23 109.911 179.03 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.81 -29.85 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.674 -0.693 . . . . 2.29 110.491 179.263 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' HG22 ' B' ' 6' ' ' ILE . 49.7 p-80 -141.12 61.08 13.56 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.898 0.38 . . . . 2.47 111.115 179.663 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.28 -30.92 3.08 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.658 2.239 . . . . 2.23 112.399 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 5.58 110.871 -179.94 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.739 0.304 . . . . 5.51 110.822 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.56 -73.54 0.61 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 3.11 112.501 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.0 43.01 16.63 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.895 -0.669 . . . . 1.66 112.44 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -130.73 -84.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 2.59 111.034 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.43 -44.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.676 . . . . 2.22 109.48 179.616 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -62.56 -47.8 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.581 -0.736 . . . . 1.57 109.772 178.798 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -53.47 -29.77 37.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.24 -0.891 . . . . 1.94 111.108 179.934 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.22 -38.83 50.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.089 0.471 . . . . 2.22 110.418 179.647 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.45 -41.53 89.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.808 -0.633 . . . . 2.37 110.758 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' B' ' 7' ' ' GLU . 16.9 pt -68.31 -43.25 84.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 1.11 111.138 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -47.82 -34.79 9.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.387 0.613 . . . . 1.51 110.063 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.78 -49.34 66.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.394 -0.821 . . . . 1.44 109.562 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.777 HG22 HD11 ' B' ' 17' ' ' ILE . 39.4 mt -59.69 -46.99 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.527 -0.76 . . . . 0.55 110.252 178.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.25 -32.35 7.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 1.32 111.06 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.03 -29.07 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 1.19 110.347 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.2 mt-10 -84.85 -33.34 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.976 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -65.73 -33.34 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 1.06 110.738 179.868 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.43 -36.67 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.648 . . . . 0.58 111.301 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -46.03 69.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.943 0.401 . . . . 1.58 110.744 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.38 -49.06 65.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.781 179.677 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -50.52 -36.08 32.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 1.98 110.975 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.0 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.764 179.704 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.777 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -63.08 -33.92 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.43 110.895 179.867 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.933 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.98 -45.87 55.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 2.28 110.939 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -52.46 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.75 111.209 -179.745 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.1 ptm180 -51.76 -44.65 63.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.014 0.435 . . . . 2.89 110.525 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.43 -35.15 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.935 -0.575 . . . . 1.38 110.125 179.298 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.7 t -64.67 -43.74 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.264 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -52.74 -33.88 50.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.742 179.102 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.433 ' HG2' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -70.44 -30.53 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.621 -0.718 . . . . 2.39 110.324 179.18 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 6' ' ' ILE . 51.9 p-80 -143.41 71.45 17.82 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-N 116.257 -0.428 . . . . 3.18 110.939 179.6 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 -27.12 64.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.6 2.2 . . . . 2.31 112.36 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.236 -0.888 . . . . 5.81 110.915 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.78 0.324 . . . . 4.94 111.162 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.54 0.33 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 3.04 112.517 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.86 -131.22 10.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 1.84 112.482 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.0 15.03 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.662 0.268 . . . . 2.71 111.328 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -29.64 32.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.227 0.537 . . . . 2.64 110.025 179.515 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.638 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.7 mp -78.16 -45.39 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.36 -0.837 . . . . 1.8 110.257 179.191 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -55.54 -23.91 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 2.15 110.911 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.147 0.499 . . . . 2.21 110.004 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -61.16 -36.24 79.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.609 -0.723 . . . . 2.42 110.701 179.591 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.624 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 26.1 pt -68.98 -44.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.065 179.783 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.0 t70 -49.61 -34.03 16.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.422 0.629 . . . . 1.48 109.714 179.477 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 1.41 109.51 178.756 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.738 HD13 ' HB3' ' B' ' 23' ' ' LYS . 23.1 mt -60.22 -50.1 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 0.48 110.487 179.108 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.893 ' HA ' HD12 ' A' ' 17' ' ' ILE . 7.6 t0 -48.79 -31.56 7.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 1.29 111.1 179.71 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.36 -27.88 59.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.459 . . . . 1.11 110.269 179.47 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 11.9 mt-10 -85.29 -37.63 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 2.07 110.821 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.893 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.5 mt -60.72 -33.13 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.94 110.508 179.703 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.3 -36.68 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.674 -0.693 . . . . 0.66 111.355 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -46.15 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 1.79 110.862 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' B' ' 20' ' ' LEU . 8.5 mt -67.29 -51.09 57.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.883 179.751 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -33.67 24.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 1.99 111.05 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.88 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.65 110.83 179.783 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' B' ' 13' ' ' ILE . 5.4 mttm -69.07 -32.33 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 1.53 111.034 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -71.73 -45.9 60.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 2.89 111.006 -179.845 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -53.86 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.307 -179.601 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -51.07 -46.33 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 2.54 110.398 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 HG23 ' B' ' 6' ' ' ILE . 0.8 OUTLIER -60.08 -36.67 77.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.91 179.094 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.8 t -63.98 -43.98 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.79 109.994 179.18 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -51.81 -28.9 17.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.902 -0.59 . . . . 2.23 109.843 179.032 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -31.82 58.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.654 -0.703 . . . . 2.29 110.459 179.204 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' B' ' 6' ' ' ILE . 18.3 p-80 -138.04 60.65 24.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.286 -0.415 . . . . 2.47 110.995 179.666 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.91 -35.61 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.618 2.212 . . . . 2.23 112.465 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 5.58 110.972 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.807 0.337 . . . . 5.51 110.914 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.12 87.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.719 . . . . 3.11 112.477 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -133.34 57.44 0.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 1.66 112.445 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 63.05 16.56 9.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 2.59 111.386 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.17 -28.49 40.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 2.22 110.167 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.0 mt -79.48 -45.25 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.512 -0.767 . . . . 1.57 110.409 179.382 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.5 -32.56 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.622 -0.717 . . . . 1.94 110.707 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -77.4 -39.69 46.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.265 179.477 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.728 179.749 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 20.2 pt -71.42 -43.92 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.11 111.259 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.3 t70 -49.49 -34.93 18.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.432 0.634 . . . . 1.51 109.765 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.25 77.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.343 -0.844 . . . . 1.44 109.252 178.708 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.691 HG22 HD11 ' B' ' 17' ' ' ILE . 24.3 mt -60.99 -47.11 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.185 178.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.6 t0 -48.0 -31.91 5.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.299 -0.409 . . . . 1.32 111.006 179.645 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -76.48 -29.62 56.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 1.19 110.375 179.579 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.6 mt-10 -83.99 -33.74 24.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 2.03 111.024 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.47 -35.5 74.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 1.06 110.646 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.59 -35.64 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.724 -0.671 . . . . 0.58 111.206 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.52 -46.11 73.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.264 -0.425 . . . . 1.58 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -65.68 -50.98 62.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.63 110.834 179.872 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.64 -30.6 9.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 1.98 111.06 -179.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.62 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.62 110.919 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.738 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.1 mptp? -64.64 -35.67 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.43 110.895 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 2.0 tpt85 -64.03 -49.31 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.989 -0.55 . . . . 2.28 111.191 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -56.17 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.417 -0.356 . . . . 0.75 111.359 -179.669 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 4.7 ptm85 -48.21 -41.25 26.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.076 0.465 . . . . 2.89 110.549 -179.813 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mm? -64.34 -39.3 93.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 1.38 109.914 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.7 t -62.46 -42.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.79 110.301 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.24 -34.26 56.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 2.33 109.912 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.5 -31.48 70.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.703 -0.681 . . . . 2.39 110.117 179.189 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.638 ' CE1' HG22 ' A' ' 6' ' ' ILE . 31.7 p-80 -139.58 75.86 31.27 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.288 -0.414 . . . . 3.18 111.004 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.31 -25.39 30.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.529 2.152 . . . . 2.31 112.353 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.297 -0.858 . . . . 5.81 110.913 179.974 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.784 0.326 . . . . 4.94 111.261 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.1 -27.82 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 3.04 112.558 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.43 -125.96 7.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 1.84 112.491 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.62 13.17 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 2.71 111.393 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -52.81 -28.31 22.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.175 0.512 . . . . 2.64 110.001 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.648 HG23 HD22 ' B' ' 27' ' ' LEU . 26.0 mt -79.19 -44.55 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.468 -0.787 . . . . 1.8 110.307 179.259 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.35 -30.73 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.573 -0.74 . . . . 2.15 110.813 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -40.59 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 2.21 110.373 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.71 -37.24 85.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.791 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.7 pt -70.95 -43.66 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.199 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 18.5 t70 -50.33 -34.38 23.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.352 0.596 . . . . 1.48 109.908 179.639 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.87 -46.36 75.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.336 -0.847 . . . . 1.41 109.29 178.831 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 38.0 mt -60.93 -47.0 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.231 178.89 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 17' ' ' ILE . 9.1 t0 -48.74 -31.82 7.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.914 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -28.71 57.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 1.11 110.319 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.4 mt-10 -84.93 -34.45 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.969 -0.559 . . . . 2.07 111.046 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -64.81 -33.13 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.716 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -37.04 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.776 -0.647 . . . . 0.66 111.216 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.75 -44.76 70.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.401 . . . . 1.79 110.864 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -68.31 -50.31 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.63 110.776 179.812 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.54 -30.58 31.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.035 -179.822 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.47 -33.06 62.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.65 110.818 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' HD13 ' B' ' 13' ' ' ILE . 73.9 mttt -68.57 -31.17 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 1.53 111.0 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.98 -46.88 41.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 2.89 111.072 -179.878 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -54.13 48.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.81 111.309 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.717 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.84 -45.17 59.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.232 -0.44 . . . . 2.54 110.407 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' A' ' 26' ' ' ARG . 1.9 mp -61.13 -37.13 81.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 1.35 109.932 179.059 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.1 t -63.34 -44.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.79 110.225 179.386 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -51.8 -31.07 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 2.23 109.994 179.158 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -75.43 -29.82 59.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.641 -0.709 . . . . 2.29 110.566 179.262 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' HG22 ' B' ' 6' ' ' ILE . 45.8 p-80 -141.82 62.81 15.24 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.359 -0.382 . . . . 2.47 110.946 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.24 -28.57 8.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.607 2.205 . . . . 2.23 112.283 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 5.58 110.901 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.886 0.374 . . . . 5.51 110.975 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.62 -64.77 0.83 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 3.11 112.553 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -40.99 96.21 0.01 OUTLIER Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.135 -0.555 . . . . 1.66 112.676 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -160.31 -80.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.109 0.481 . . . . 2.59 110.777 -179.086 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -144.81 -43.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.477 -0.783 . . . . 2.22 109.216 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.547 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.1 mt -64.44 -49.4 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.501 -0.772 . . . . 1.57 109.693 178.659 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -30.6 45.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.126 -0.943 . . . . 1.94 111.133 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -77.0 -38.14 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.939 0.4 . . . . 2.22 110.493 179.855 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -60.07 -40.14 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 2.37 110.836 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -69.63 -43.04 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.11 111.288 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.07 -34.76 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.367 0.603 . . . . 1.51 109.951 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.828 . . . . 1.44 109.377 178.731 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' B' ' 17' ' ' ILE . 22.4 mt -60.42 -46.85 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.377 -0.829 . . . . 0.55 110.224 178.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.09 -32.95 7.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.354 -0.385 . . . . 1.32 111.035 179.583 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -29.16 59.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.304 179.621 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.59 -34.39 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.03 111.062 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.01 -34.18 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.122 0.487 . . . . 1.06 110.782 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.11 -36.75 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.679 . . . . 0.58 111.244 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -54.48 -46.17 73.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 1.58 110.857 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' A' ' 20' ' ' LEU . 8.4 mt -66.33 -50.94 61.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.909 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.24 -32.83 25.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 1.98 111.228 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.97 72.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.0 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.569 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.63 -34.4 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.43 111.122 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.77 -46.0 69.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 2.28 111.179 -179.822 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -54.65 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.75 111.267 -179.61 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 5.0 ptm180 -50.45 -42.22 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.095 0.474 . . . . 2.89 110.538 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.648 HD22 HG23 ' A' ' 6' ' ' ILE . 10.4 mt -64.98 -36.7 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.38 110.045 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.2 t -64.95 -42.28 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.79 110.105 179.077 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -33.26 44.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.83 -0.623 . . . . 2.33 109.739 179.07 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -32.82 69.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.665 -0.698 . . . . 2.39 110.305 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.623 ' CE1' HG22 ' A' ' 6' ' ' ILE . 20.7 p-80 -137.19 70.86 55.17 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.399 . . . . 3.18 111.003 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.09 -28.07 13.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.581 2.187 . . . . 2.31 112.345 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.224 -0.893 . . . . 5.81 110.897 -179.983 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.773 0.321 . . . . 4.94 111.261 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.97 -86.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 3.04 112.523 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.76 94.74 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.797 -0.716 . . . . 1.84 112.276 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -161.21 -80.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.106 0.479 . . . . 2.71 110.895 -179.13 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.09 -43.91 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.474 -0.785 . . . . 2.64 109.242 179.669 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.609 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.56 -51.25 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 115.485 -0.78 . . . . 1.8 109.538 178.566 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.96 -31.69 68.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.158 -0.928 . . . . 2.15 110.892 179.668 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -78.36 -34.79 48.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 2.21 110.516 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -60.48 -38.96 85.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 2.42 110.78 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.0 pt -70.77 -43.16 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.322 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.0 t70 -49.8 -34.03 18.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.371 0.605 . . . . 1.48 110.065 179.771 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.6 t70 -68.46 -47.2 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.384 -0.825 . . . . 1.41 109.414 178.967 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.736 HG22 HD11 ' A' ' 17' ' ' ILE . 18.8 mt -60.3 -48.68 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.548 -0.751 . . . . 0.48 110.466 179.12 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.8 t0 -48.54 -33.03 8.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.135 179.728 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -28.02 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.386 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HB2' HD13 ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.76 -37.96 18.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 2.07 111.021 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -61.12 -32.48 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.94 110.781 -179.959 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.62 -40.14 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.66 111.12 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -54.94 -44.45 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.79 110.924 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.3 mt -66.07 -52.67 46.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.63 111.092 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -38.55 28.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.99 111.351 -179.688 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.83 87.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.455 . . . . 0.65 110.92 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -58.61 -34.47 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 1.53 111.056 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.901 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -73.35 -43.2 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 2.89 111.085 -179.795 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -56.38 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.81 111.282 -179.758 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.42 -41.44 39.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.105 0.479 . . . . 2.54 110.58 -179.788 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp -64.58 -37.49 87.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.35 109.981 179.078 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 24' ' ' ARG . 47.8 t -61.63 -45.1 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.79 110.12 179.29 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -52.41 -33.06 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 2.23 109.611 179.004 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.45 -30.43 68.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.546 -0.752 . . . . 2.29 110.293 179.068 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.1 p-80 -144.45 72.06 15.83 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-N 116.271 -0.422 . . . . 2.47 110.988 179.535 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.12 -27.67 35.33 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.593 2.196 . . . . 2.23 112.27 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 5.58 110.865 179.919 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 5.51 110.913 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.54 -157.1 27.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 3.11 112.581 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.79 28.33 59.23 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.694 -0.765 . . . . 1.66 112.494 -179.971 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 62.25 17.41 9.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 2.59 111.336 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -55.54 -25.9 40.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.122 0.487 . . . . 2.22 110.219 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.667 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mt -80.3 -45.65 22.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.57 110.517 179.526 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -29.17 65.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.667 -0.697 . . . . 1.94 111.015 179.789 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -77.56 -41.11 40.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 2.22 110.267 179.558 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.65 -35.71 76.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 2.37 110.832 179.793 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.66 HG23 HD23 ' A' ' 27' ' ' LEU . 17.9 pt -73.46 -43.66 55.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.333 . . . . 1.11 111.359 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -47.99 -35.17 10.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.342 0.591 . . . . 1.51 109.884 179.64 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 23.4 t0 -68.15 -49.1 63.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.69 178.941 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.816 HG22 HD11 ' B' ' 17' ' ' ILE . 37.3 mt -59.4 -48.94 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 0.55 110.594 179.215 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.892 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -47.9 -33.93 8.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.328 -0.396 . . . . 1.32 111.131 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -28.27 61.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.362 179.723 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' HB2' HD13 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.95 -35.18 20.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.994 -179.71 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -63.66 -31.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 1.06 110.856 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.82 -44.73 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.58 111.351 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.38 -39.09 56.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 1.58 110.944 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.539 ' N ' HD23 ' B' ' 20' ' ' LEU . 2.3 mt -69.62 -55.05 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.091 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -32.18 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.98 111.268 -179.676 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.52 -33.46 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.103 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.674 ' O ' HD12 ' B' ' 27' ' ' LEU . 40.1 mttt -69.34 -31.03 69.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 1.43 111.141 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.914 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.99 -46.86 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 2.28 111.216 -179.855 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.75 111.185 -179.712 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -50.74 -43.56 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 2.89 110.536 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.674 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.5 mt -64.87 -35.61 81.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 1.38 110.23 179.35 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.914 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.2 t -65.68 -44.61 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.79 110.345 179.452 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -33.88 40.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.531 . . . . 2.33 109.891 179.15 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.45 -31.75 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.667 -0.697 . . . . 2.39 110.324 179.183 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.609 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.3 p-80 -143.55 74.03 17.09 Favored Pre-proline 0 C--N 1.333 -0.127 0 CA-C-N 116.24 -0.436 . . . . 3.18 111.007 179.542 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.05 -36.27 17.81 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.565 2.177 . . . . 2.31 112.38 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.237 -0.887 . . . . 5.81 110.897 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.754 0.311 . . . . 4.94 111.231 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.44 -118.96 10.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.63 -0.795 . . . . 3.04 112.451 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.92 17.34 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.831 -0.699 . . . . 1.84 112.371 -179.855 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -126.87 -84.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.998 0.428 . . . . 2.71 110.979 -179.38 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.57 -43.66 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.857 -0.611 . . . . 2.64 109.564 179.706 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -65.46 -51.11 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 1.8 109.738 178.764 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.31 -34.53 47.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.179 -0.919 . . . . 2.15 110.961 179.778 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -75.15 -34.08 61.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 2.21 110.425 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -62.51 -41.11 98.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 2.42 110.761 179.802 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.9 pt -70.29 -42.93 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.95 111.253 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.81 -34.2 18.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.433 0.635 . . . . 1.48 109.979 179.67 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.2 m-20 -68.77 -44.58 73.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 1.41 109.425 178.845 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 17' ' ' ILE . 26.9 mt -61.15 -48.14 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.412 -0.813 . . . . 0.48 110.298 178.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.5 t0 -48.87 -33.93 11.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.356 -0.384 . . . . 1.29 111.097 179.678 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -26.96 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 1.11 110.467 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.3 mm-40 -86.94 -36.01 18.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.021 -179.764 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -62.1 -32.22 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.94 110.673 179.775 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.55 -39.87 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.639 -0.71 . . . . 0.66 111.073 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.45 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.798 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 20' ' ' LEU . 2.5 mt -75.3 -56.45 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.63 110.804 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CD ' HG21 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -52.65 -43.86 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 1.99 110.994 -179.843 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.05 70.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.845 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.87 -35.45 64.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 1.53 110.808 179.886 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.871 ' O ' HG23 ' A' ' 28' ' ' VAL . 18.9 ttt180 -71.08 -41.17 71.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 2.89 111.176 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -56.09 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.81 111.06 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.6 ptp180 -49.78 -37.84 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 2.54 110.457 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 23' ' ' LYS . 4.3 mp -67.2 -39.29 86.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.509 . . . . 1.35 109.75 178.891 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 24' ' ' ARG . 23.6 t -63.49 -44.07 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.549 . . . . 0.79 110.225 179.182 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -53.95 -30.17 45.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 2.23 109.916 179.063 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -73.55 -30.38 63.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.773 -0.649 . . . . 2.29 110.355 179.121 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' B' ' 6' ' ' ILE . 42.1 p-80 -137.39 66.74 52.23 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.928 0.394 . . . . 2.47 110.952 179.529 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.2 -15.69 15.98 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.638 2.225 . . . . 2.23 112.531 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 5.58 110.958 179.953 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 5.51 110.856 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.47 161.98 33.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 3.11 112.49 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -119.88 -84.6 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 1.66 112.399 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -93.36 14.48 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 2.59 111.36 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.37 -27.49 24.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.524 . . . . 2.22 109.999 179.615 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.649 HG22 ' CE1' ' A' ' 31' ' ' HIS . 23.2 mt -81.82 -44.84 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.429 -0.805 . . . . 1.57 110.279 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -30.79 65.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.574 -0.739 . . . . 1.94 110.816 179.723 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -77.74 -39.22 45.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.126 0.488 . . . . 2.22 110.206 179.471 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -60.82 -40.24 92.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.718 179.647 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.439 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.9 pt -69.41 -42.59 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 1.11 111.217 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' B' ' 10' ' ' ILE . 13.3 t70 -48.84 -35.25 14.15 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.554 0.692 . . . . 1.51 109.8 179.581 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -67.93 -43.82 78.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.175 -0.921 . . . . 1.44 109.266 178.634 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' B' ' 17' ' ' ILE . 12.3 mt -61.43 -48.81 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.464 -0.789 . . . . 0.55 110.335 179.053 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.1 t0 -47.65 -34.41 8.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.437 -0.347 . . . . 1.32 111.187 179.763 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -28.23 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.438 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 20' ' ' LEU . 4.6 mm-40 -85.71 -38.16 18.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 2.03 111.046 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -59.35 -33.26 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.625 179.896 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.03 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.278 -179.848 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.24 -41.87 69.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 1.58 111.083 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 9.3 mt -67.69 -53.44 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.63 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -33.7 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.98 111.312 -179.661 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.36 -29.75 62.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.62 111.062 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.47 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -71.99 -33.01 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 1.43 111.118 -179.864 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.897 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.19 -44.68 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.255 -179.793 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.75 111.312 -179.498 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.45 -40.85 38.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 2.89 110.579 -179.705 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.8 mt -65.98 -38.46 88.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.946 -0.57 . . . . 1.38 110.099 179.109 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.7 t -62.09 -47.23 94.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.429 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -32.49 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.836 179.169 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 2.39 110.36 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' A' ' 6' ' ' ILE . 49.0 p-80 -142.67 71.99 20.11 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.259 -0.428 . . . . 3.18 110.989 179.699 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.05 -28.21 16.26 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.148 . . . . 2.31 112.281 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 5.81 110.847 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.9 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.829 0.347 . . . . 4.94 111.155 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.15 143.56 5.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 3.04 112.517 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.55 -120.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.826 -0.702 . . . . 1.84 112.562 179.939 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.28 12.71 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 2.71 111.328 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -28.31 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 2.64 109.986 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.636 HG22 ' CE1' ' B' ' 31' ' ' HIS . 23.2 mt -79.8 -44.61 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.42 -0.809 . . . . 1.8 110.344 179.184 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -57.55 -29.19 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.653 -0.703 . . . . 2.15 110.801 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -81.6 -40.71 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 2.21 110.145 179.465 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -62.06 -33.9 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.686 . . . . 2.42 110.681 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.4 pt -72.02 -43.45 67.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.95 111.206 179.834 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -50.74 -34.51 27.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.384 0.611 . . . . 1.48 109.696 179.67 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -47.06 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.361 178.876 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.679 HG22 HD11 ' A' ' 17' ' ' ILE . 25.4 mt -60.86 -46.46 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.587 -0.733 . . . . 0.48 110.304 178.964 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.05 -33.11 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 1.29 111.034 179.662 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -29.02 58.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 1.11 110.434 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.3 mt-10 -84.23 -33.34 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 2.07 110.969 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.77 -34.65 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.94 110.682 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.36 -36.34 46.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.39 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.36 -48.81 73.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.802 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' B' ' 20' ' ' LEU . 6.6 mt -62.71 -52.19 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.63 111.011 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.63 -30.34 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.179 -179.785 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.65 110.975 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB2' HD13 ' B' ' 13' ' ' ILE . 17.7 mmtt -67.04 -33.47 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.175 -179.877 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -71.63 -47.07 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 2.89 111.33 -179.742 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -53.12 61.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.81 111.285 -179.619 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -51.02 -44.36 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 2.54 110.667 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HG23 ' B' ' 10' ' ' ILE . 6.8 mp -65.35 -35.28 80.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 1.35 110.32 179.412 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.0 t -63.59 -46.88 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.921 0.391 . . . . 0.79 110.332 179.423 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -33.57 34.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 2.23 109.704 179.161 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -31.83 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.598 -0.728 . . . . 2.29 110.257 179.134 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.628 ' CE1' HG22 ' B' ' 6' ' ' ILE . 52.6 p-80 -143.18 75.43 17.11 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-N 116.209 -0.451 . . . . 2.47 110.984 179.503 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -175.13 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.633 2.222 . . . . 2.23 112.272 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.25 0 CA-C-N 116.001 -0.545 . . . . 5.58 111.541 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 5.51 110.817 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.25 21.41 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 3.11 112.717 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -44.5 95.6 0.01 OUTLIER Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.961 -0.637 . . . . 1.66 112.54 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -156.71 -81.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.156 0.503 . . . . 2.59 110.798 -179.138 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -139.35 -43.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.432 -0.804 . . . . 2.22 109.185 179.436 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.628 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.9 mt -65.16 -50.66 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.445 -0.798 . . . . 1.57 109.534 178.43 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.11 -32.46 71.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.126 -0.943 . . . . 1.94 110.798 179.716 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.98 -33.95 44.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 2.22 110.367 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -61.06 -38.69 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 2.37 110.781 179.753 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.497 HG23 HD23 ' A' ' 27' ' ' LEU . 16.3 pt -70.58 -43.09 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 1.11 111.102 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.42 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.11 -34.67 14.45 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.345 0.593 . . . . 1.51 109.965 179.568 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.47 -47.46 70.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.329 178.892 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.732 HG22 HD11 ' B' ' 17' ' ' ILE . 19.7 mt -59.84 -47.86 89.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 0.55 110.307 178.932 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 6.1 t0 -48.6 -32.14 7.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.272 -0.422 . . . . 1.32 110.974 179.647 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -28.71 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.19 110.337 179.493 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 14.6 mt-10 -85.4 -35.45 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 2.03 111.044 -179.825 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.3 mt -63.71 -32.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 1.06 110.838 179.895 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.81 28.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.58 111.156 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.64 -43.48 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 1.58 110.877 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' A' ' 20' ' ' LEU . 11.1 mt -70.1 -51.54 30.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.63 110.933 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -53.13 -34.16 55.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 1.98 111.109 -179.837 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.27 63.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.62 111.096 179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 7.0 mtpt -71.73 -33.78 69.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.43 111.062 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.98 -46.17 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.403 . . . . 2.28 111.139 -179.859 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -55.26 31.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.75 111.212 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -49.84 -44.01 49.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.102 0.477 . . . . 2.89 110.468 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 4.3 mp -62.37 -37.75 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 1.38 110.027 179.151 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.3 t -62.64 -47.42 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.79 110.287 179.262 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -50.83 -29.69 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.71 179.151 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.554 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -71.88 -34.4 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.564 -0.744 . . . . 2.39 110.358 179.156 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.636 ' CE1' HG22 ' A' ' 6' ' ' ILE . 24.4 p-80 -133.68 69.27 76.19 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 3.18 111.067 179.594 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.81 139.69 19.98 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.656 2.238 . . . . 2.31 112.364 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 5.81 111.542 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.839 0.352 . . . . 4.94 111.163 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 8' ' ' GLN . . . 99.91 119.27 4.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 3.04 112.426 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.0 11.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.554 -0.831 . . . . 1.84 112.057 179.48 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.54 14.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 2.71 111.064 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 72.03 22.01 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.513 0.673 . . . . 2.64 109.67 -178.677 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' B' ' 31' ' ' HIS . 7.0 mt -139.98 -48.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.859 -1.064 . . . . 1.8 108.992 -179.884 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.65 -26.94 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.82 -1.082 . . . . 2.15 110.463 178.623 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.428 ' HB2' ' CA ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -77.88 -40.64 39.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 2.21 110.095 179.264 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -39.52 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.806 -0.633 . . . . 2.42 110.696 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.6 pt -69.62 -43.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.159 179.877 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.4 -34.19 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.315 0.578 . . . . 1.48 109.944 179.659 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.42 -47.81 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.347 -0.842 . . . . 1.41 109.339 178.87 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 17' ' ' ILE . 22.6 mt -59.84 -47.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.48 110.146 178.969 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.68 -32.38 8.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 1.29 110.98 179.634 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -75.37 -28.8 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 1.11 110.314 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.8 mt-10 -84.99 -34.11 22.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.032 -179.874 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -64.83 -32.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.94 110.735 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.74 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.763 -0.653 . . . . 0.66 111.184 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.15 -45.72 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 1.79 110.765 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' B' ' 20' ' ' LEU . 6.0 mt -67.53 -50.27 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.63 110.783 179.754 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -33.37 33.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 1.99 111.116 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.25 72.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.65 110.919 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -66.14 -33.82 76.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 1.53 110.991 179.894 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -71.76 -44.73 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 2.89 111.116 -179.963 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -56.18 24.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.81 111.016 -179.767 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -40.91 55.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.159 0.504 . . . . 2.54 110.407 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HD12 ' B' ' 13' ' ' ILE . 25.1 mt -64.74 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 1.35 109.907 178.995 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.0 t -63.85 -45.56 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.79 110.046 179.136 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -51.52 -30.04 18.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.878 -0.601 . . . . 2.23 109.764 179.106 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -33.37 65.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 2.29 110.36 179.11 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' B' ' 6' ' ' ILE . 20.3 p-80 -139.05 65.84 37.54 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 2.47 111.077 179.616 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.05 -30.89 5.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.676 2.25 . . . . 2.23 112.428 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 5.58 110.926 179.981 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 5.51 110.846 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.68 52.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 3.11 112.482 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.67 -155.21 50.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 1.66 112.501 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -94.0 15.0 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 2.59 111.341 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -53.09 -28.79 26.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.234 0.54 . . . . 2.22 110.056 179.651 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mp -80.66 -44.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 1.57 110.342 179.302 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.98 -28.25 56.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.663 -0.699 . . . . 1.94 110.8 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -41.64 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 2.22 110.374 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.44 -36.58 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.69 -0.686 . . . . 2.37 110.755 179.804 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.43 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.5 pt -71.62 -43.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 1.11 111.226 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.43 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -50.4 -34.42 24.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.336 0.588 . . . . 1.51 109.906 179.655 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -47.95 71.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.41 -0.814 . . . . 1.44 109.481 178.816 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.717 HG22 HD11 ' B' ' 17' ' ' ILE . 22.8 mt -60.43 -46.87 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.55 110.282 178.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.8 t0 -48.33 -32.45 7.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.292 -0.413 . . . . 1.32 111.056 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -29.27 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.19 110.373 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.4 mt-10 -84.41 -33.86 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 2.03 111.027 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.86 -34.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.693 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.49 -37.63 42.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.366 -179.652 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -53.5 -44.5 69.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 1.58 110.998 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -67.85 -50.49 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.63 111.037 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -50.98 -36.33 38.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.278 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.41 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.62 110.947 179.856 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.604 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.2 mtpt -67.53 -33.91 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 1.43 111.129 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.16 -46.35 64.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.28 111.194 -179.8 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.47 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.224 -179.638 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -49.55 -43.11 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 2.89 110.477 -179.85 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.2 mm? -64.69 -38.28 90.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 1.38 110.169 179.258 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.3 t -62.13 -46.16 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.79 110.395 179.465 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.93 -33.06 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 2.33 109.943 179.274 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.13 -30.3 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.696 -0.684 . . . . 2.39 110.318 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.557 ' HB3' HD12 ' A' ' 6' ' ' ILE . 49.2 p-80 -138.95 73.05 39.83 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.923 0.392 . . . . 3.18 110.975 179.579 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 171.45 15.93 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.533 2.156 . . . . 2.31 112.32 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.887 . . . . 5.81 111.433 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.791 0.329 . . . . 4.94 111.203 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . 161.2 -57.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 3.04 112.512 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.64 93.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.761 -0.733 . . . . 1.84 112.31 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' GLY . 32.8 m-20 -158.54 -80.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 2.71 110.99 -179.17 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -145.69 -43.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.479 -0.782 . . . . 2.64 109.401 179.642 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.688 ' CG2' HD23 ' B' ' 27' ' ' LEU . 1.7 mt -66.34 -51.72 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.648 -0.706 . . . . 1.8 109.707 178.795 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.02 -32.95 55.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.14 -0.936 . . . . 2.15 110.957 179.745 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -79.87 -36.54 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 2.21 110.339 179.602 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -61.7 -36.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.881 -0.6 . . . . 2.42 110.782 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -70.97 -43.13 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.076 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 5.4 t0 -50.27 -34.43 23.32 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.35 0.595 . . . . 1.48 109.789 179.54 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -46.24 76.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.313 -0.858 . . . . 1.41 109.271 178.694 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.642 HG22 HD11 ' A' ' 17' ' ' ILE . 26.4 mt -61.0 -46.31 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.485 -0.78 . . . . 0.48 110.129 178.888 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.38 -32.7 7.92 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.985 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.54 59.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 1.11 110.399 179.523 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.9 mt-10 -83.93 -33.83 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 2.07 110.883 -179.772 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.54 -34.17 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.94 110.737 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.34 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.775 -0.648 . . . . 0.66 111.284 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.78 -44.51 73.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 1.79 110.923 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 9.0 mt -67.88 -52.28 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.63 111.068 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.79 -30.87 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 1.99 111.095 -179.854 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.44 -31.63 60.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.65 110.909 179.875 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.85 -36.32 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 1.53 111.08 179.982 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -67.27 -43.68 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.02 -179.841 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -55.17 24.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.81 111.256 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -48.47 -41.99 31.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.991 0.424 . . . . 2.54 110.537 -179.859 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD11 ' HE2' ' B' ' 9' ' ' LYS . 3.3 mm? -64.64 -38.78 92.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 1.35 110.015 179.195 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 24' ' ' ARG . 32.7 t -62.46 -46.89 95.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-N 116.148 -0.478 . . . . 0.79 110.383 179.402 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -52.2 -30.68 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 2.23 109.999 179.15 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.13 -30.37 64.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.642 -0.708 . . . . 2.29 110.368 179.172 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' HB3' HD12 ' B' ' 6' ' ' ILE . 52.4 p-80 -138.52 70.24 45.59 Favored Pre-proline 0 C--O 1.231 0.114 0 CA-C-N 116.3 -0.409 . . . . 2.47 111.054 179.568 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.85 -168.08 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.564 2.176 . . . . 2.23 112.366 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 5.58 110.886 179.954 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.761 0.315 . . . . 5.51 110.926 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 2' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' B' ' 8' ' ' GLN . . . 70.07 25.19 75.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 3.11 112.54 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.27 -22.73 30.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.558 -0.83 . . . . 1.66 112.06 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.9 14.0 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 2.59 111.18 179.757 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.65 20.01 5.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.463 0.649 . . . . 2.22 109.764 -178.764 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 31' ' ' HIS . 8.8 mt -136.28 -47.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.927 -1.033 . . . . 1.57 108.98 179.761 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.413 ' O ' HG13 ' B' ' 10' ' ' ILE . 1.1 tt0 -50.05 -25.62 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.682 -1.145 . . . . 1.94 110.48 178.552 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.427 ' HB2' ' CA ' ' B' ' 2' ' ' GLY . 7.3 tm0? -78.24 -42.98 29.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.927 -0.579 . . . . 2.22 109.954 179.318 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 27' ' ' LEU . 2.1 ttpp -58.36 -39.3 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.816 179.765 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.06 -42.88 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 1.11 110.985 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -47.99 -34.34 9.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.35 0.595 . . . . 1.51 109.888 179.529 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -68.04 -48.45 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.382 -0.826 . . . . 1.44 109.497 178.846 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' B' ' 17' ' ' ILE . 36.3 mt -59.61 -47.58 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.55 110.332 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.7 t0 -49.08 -32.87 10.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 1.32 111.021 179.574 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.82 -27.77 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 1.19 110.291 179.532 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mm-40 -85.61 -36.03 20.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.837 -0.619 . . . . 2.03 110.853 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -62.23 -33.07 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.06 110.652 179.86 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.15 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.58 111.118 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -54.34 -43.41 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.931 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -70.17 -50.9 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.63 110.942 179.885 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -50.56 -38.47 45.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.98 111.061 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.41 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.62 110.845 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -68.85 -33.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 1.43 110.958 179.954 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.93 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.11 -41.82 66.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 2.28 111.254 -179.82 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -56.76 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.75 111.518 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.92 35.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.033 0.444 . . . . 2.89 110.356 -179.733 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.688 HD23 ' CG2' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.93 -39.37 94.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.899 -0.591 . . . . 1.38 109.782 178.88 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.5 t -63.28 -44.96 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.79 110.171 179.215 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -51.51 -29.05 15.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.826 -0.625 . . . . 2.33 110.012 179.186 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.35 -30.55 53.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.681 -0.691 . . . . 2.39 110.594 179.324 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.479 ' CE1' HG22 ' A' ' 6' ' ' ILE . 46.1 p-80 -138.33 60.01 19.92 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.311 -0.404 . . . . 3.18 111.084 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.22 -84.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.488 2.125 . . . . 2.31 112.334 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 5.81 111.167 179.962 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.801 0.334 . . . . 4.94 111.115 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.55 139.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 3.04 112.524 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.21 -68.41 1.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 1.84 112.488 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.88 14.3 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.677 0.275 . . . . 2.71 111.377 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -52.73 -29.94 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 2.64 110.081 179.553 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.6 mt -78.49 -44.49 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.451 -0.795 . . . . 1.8 110.201 179.236 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.0 tt0 -56.17 -27.11 53.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 2.15 110.745 179.408 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -77.45 -42.51 35.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.203 0.525 . . . . 2.21 110.136 179.452 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -40.39 91.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 2.42 110.634 179.691 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.8 pt -68.07 -41.37 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.95 111.08 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 72.9 m-20 -49.32 -35.37 18.11 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.505 0.669 . . . . 1.48 109.553 179.28 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 15.2 t70 -68.79 -39.71 80.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 1.41 109.017 178.446 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 17' ' ' ILE . 28.0 mt -62.16 -50.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 0.48 110.277 178.846 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.922 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -49.12 -32.2 9.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 1.29 111.074 179.739 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -27.73 60.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.5 . . . . 1.11 110.353 179.497 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 3.8 mm-40 -85.71 -36.48 20.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.951 -179.814 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -61.62 -33.81 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.602 179.76 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.48 -37.16 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.66 111.279 -179.833 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -44.3 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.79 110.938 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 8.8 mt -69.09 -50.33 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.63 110.982 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 1.99 111.167 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.14 71.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.65 110.782 179.766 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.92 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 1.53 110.951 179.946 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -73.63 -46.95 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 2.89 111.21 -179.713 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.38 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.108 -179.727 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.35 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 2.54 110.357 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.87 HD22 HG23 ' B' ' 6' ' ' ILE . 11.2 mt -60.42 -35.67 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 1.35 109.973 179.069 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.3 t -65.8 -43.84 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 0.79 110.112 179.154 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -29.13 16.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.901 -0.59 . . . . 2.23 109.997 179.168 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.8 -32.65 57.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.643 -0.708 . . . . 2.29 110.503 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.816 ' HB3' HD13 ' B' ' 6' ' ' ILE . 20.2 p-80 -135.1 60.68 41.59 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-O 120.879 0.371 . . . . 2.47 111.138 179.695 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.59 -28.3 10.07 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.547 2.165 . . . . 2.23 112.335 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.58 110.871 -179.989 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.805 0.336 . . . . 5.51 110.893 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.15 -110.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 3.11 112.484 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.84 -146.77 50.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 1.66 112.481 179.952 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.73 13.47 20.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.281 . . . . 2.59 111.346 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.32 -30.74 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.202 0.525 . . . . 2.22 110.05 179.61 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.87 HG23 HD22 ' A' ' 27' ' ' LEU . 1.9 mp -75.82 -44.42 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.452 -0.795 . . . . 1.57 110.151 179.171 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.437 ' HG3' HD11 ' B' ' 10' ' ' ILE . 1.1 tt0 -54.95 -31.99 60.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 1.94 110.662 179.574 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -40.18 55.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.945 -0.57 . . . . 2.22 110.236 179.396 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 2.37 110.744 179.788 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.527 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.3 pt -71.52 -43.57 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.155 179.909 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -49.54 -35.07 19.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.397 0.617 . . . . 1.51 109.815 179.504 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.56 -46.29 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.282 178.752 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 23' ' ' LYS . 32.9 mt -60.77 -44.51 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 0.55 110.109 178.809 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -48.61 -33.99 10.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.354 -0.385 . . . . 1.32 110.813 179.363 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.02 -28.44 60.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 1.19 110.437 179.607 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -85.01 -33.68 22.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 2.03 111.052 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.02 -34.24 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 1.06 110.615 179.808 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.5 39.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.58 111.063 179.913 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -54.26 -41.71 69.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.58 111.076 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 10.8 mt -71.2 -53.9 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.63 111.009 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.84 -34.3 40.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 1.98 111.234 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.66 -27.32 58.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.249 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.3 mtpp -80.65 -32.75 36.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 1.43 111.115 -179.927 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.874 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.3 OUTLIER -70.65 -34.55 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 2.28 111.145 -179.734 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -56.03 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.75 111.119 -179.853 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.509 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -48.17 -34.99 10.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.922 0.392 . . . . 2.89 110.468 -179.941 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' B' ' 26' ' ' ARG . 1.3 mp -68.99 -40.74 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 1.38 109.649 178.753 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.4 t -61.21 -46.94 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.79 110.182 179.076 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -31.06 35.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 2.33 109.73 178.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -70.39 -30.52 67.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.618 -0.719 . . . . 2.39 110.324 179.143 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.608 ' CE1' HG22 ' A' ' 6' ' ' ILE . 42.2 p-80 -136.15 71.47 61.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-O 120.846 0.355 . . . . 3.18 111.026 179.538 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.92 -29.25 4.43 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.629 2.219 . . . . 2.31 112.373 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.279 -0.867 . . . . 5.81 110.904 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.793 0.33 . . . . 4.94 111.18 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.77 -56.39 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.674 -0.774 . . . . 3.04 112.5 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.75 -148.29 47.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 1.84 112.474 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -91.74 12.57 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 2.71 111.38 -179.966 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.13 -33.27 25.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.195 0.521 . . . . 2.64 109.764 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.773 HG23 ' CG ' ' B' ' 27' ' ' LEU . 37.8 mt -68.1 -46.57 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.326 -0.852 . . . . 1.8 109.897 178.838 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.73 -40.13 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.667 -0.697 . . . . 2.15 110.386 179.636 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -37.95 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.595 -0.729 . . . . 2.21 110.306 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -62.8 -30.57 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.711 -0.677 . . . . 2.42 110.942 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.685 HG23 HD23 ' B' ' 27' ' ' LEU . 22.4 pt -76.75 -46.19 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.866 -0.333 . . . . 0.95 111.41 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.3 t0 -49.23 -34.13 14.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.519 0.676 . . . . 1.48 109.961 179.622 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.08 -49.53 50.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.209 -0.905 . . . . 1.41 110.106 179.081 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.842 HG22 HD11 ' A' ' 17' ' ' ILE . 21.0 mt -59.15 -48.83 85.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.619 . . . . 0.48 110.569 179.329 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.94 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.1 t0 -47.87 -35.36 10.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 1.29 111.179 179.848 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.75 -27.61 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.11 110.516 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.2 mm-40 -86.39 -34.97 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 2.07 111.03 -179.801 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -62.87 -31.49 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.538 179.769 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.89 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.641 -0.708 . . . . 0.66 111.103 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -41.49 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 1.79 111.016 -179.872 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -71.26 -51.72 22.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.63 111.07 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.97 -35.9 26.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 1.99 111.155 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.884 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.754 ' O ' HD13 ' A' ' 27' ' ' LEU . 13.1 mttm -66.56 -34.83 78.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 1.53 110.952 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.878 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -71.16 -41.01 70.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 2.89 110.985 -179.886 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.341 -179.572 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.17 26.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.047 0.451 . . . . 2.54 110.64 -179.665 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -66.19 -38.93 89.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 178.868 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 24' ' ' ARG . 27.6 t -63.41 -43.64 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.79 109.988 178.874 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -52.9 -29.03 26.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.769 -0.651 . . . . 2.23 109.714 178.925 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -75.36 -31.41 60.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.634 -0.712 . . . . 2.29 110.471 179.215 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.625 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.1 p-80 -137.93 60.68 24.79 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.381 -0.372 . . . . 2.47 111.047 179.666 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.74 -42.65 0.11 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.706 2.271 . . . . 2.23 112.444 -179.936 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.012 -0.54 . . . . 5.58 110.945 179.926 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 5.51 110.897 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.15 -111.4 3.35 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 3.11 112.402 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.97 -124.69 7.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 1.66 112.494 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.08 14.94 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.681 0.277 . . . . 2.59 111.335 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -29.25 27.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.195 0.521 . . . . 2.22 110.039 179.634 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.625 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.9 mt -80.71 -44.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 1.57 110.201 179.22 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.94 -27.89 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.621 -0.718 . . . . 1.94 110.67 179.566 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.74 -42.85 23.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 2.22 110.121 179.468 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.509 ' HE2' HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -60.46 -36.56 78.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.67 179.64 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -70.38 -43.13 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 1.11 111.041 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -48.97 -34.42 12.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.344 0.593 . . . . 1.51 109.724 179.52 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.1 m-20 -67.42 -47.04 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.267 -0.878 . . . . 1.44 109.539 178.777 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.699 HG22 HD11 ' B' ' 17' ' ' ILE . 37.5 mt -61.0 -47.37 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 0.55 110.279 179.036 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.77 -32.29 8.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 1.32 110.975 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -75.93 -28.66 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.391 179.589 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.37 -34.22 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.784 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.48 -33.63 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 1.06 110.704 179.913 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.97 -36.93 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.258 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -54.33 -46.1 72.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 1.58 110.854 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 20' ' ' LEU . 10.4 mt -66.28 -49.39 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.63 110.801 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -50.56 -42.03 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.1 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.073 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -59.56 -43.41 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 1.43 111.001 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.909 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -67.99 -40.76 83.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 2.28 110.892 -179.947 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -61.38 -54.37 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.75 111.24 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.466 ' HG3' HD13 ' B' ' 27' ' ' LEU . 3.6 ptm85 -49.94 -37.58 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 2.89 110.772 -179.761 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.773 ' CG ' HG23 ' A' ' 6' ' ' ILE . 9.1 mp -78.72 -31.92 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 1.38 110.495 179.239 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.909 HG23 ' O ' ' B' ' 24' ' ' ARG . 81.6 t -68.82 -56.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.917 0.389 . . . . 0.79 110.225 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -52.6 -35.74 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 2.33 109.745 179.207 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 30' ' ' GLN . . . . . 0.424 ' O ' ' HD2' ' B' ' 32' ' ' PRO . 12.4 tp60 -72.62 -26.46 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.477 -0.783 . . . . 2.39 110.041 178.739 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.683 ' CE1' ' HB ' ' A' ' 6' ' ' ILE . 8.0 m170 -107.85 62.85 0.23 Allowed Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.754 -0.657 . . . . 3.18 111.502 179.869 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' B' ' 30' ' ' GLN . 38.2 Cg_endo -66.07 -31.49 45.74 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.38 2.053 . . . . 2.31 112.254 179.899 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.221 -0.895 . . . . 5.81 110.889 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.853 0.358 . . . . 4.94 111.199 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 3.04 112.487 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.37 -119.59 3.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 1.84 112.558 -179.952 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -108.97 15.33 23.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.651 0.262 . . . . 2.71 111.303 -179.979 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -53.21 -28.79 28.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.521 . . . . 2.64 110.046 179.623 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.5 mt -81.17 -45.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.424 -0.807 . . . . 1.8 110.156 179.194 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.04 -23.75 35.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.643 -0.708 . . . . 2.15 110.783 179.558 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -41.15 37.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 2.21 110.301 179.606 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -39.31 89.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.786 -0.643 . . . . 2.42 110.753 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.8 pt -68.67 -42.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.101 179.794 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.9 -34.47 20.4 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.374 0.607 . . . . 1.48 109.956 179.588 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -66.87 -46.64 74.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 1.41 109.328 178.828 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' A' ' 17' ' ' ILE . 22.9 mt -60.82 -46.01 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 0.48 110.143 178.842 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.94 -32.3 8.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.188 -0.46 . . . . 1.29 110.906 179.496 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -28.73 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.276 179.549 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.5 -33.76 23.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 2.07 110.947 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -65.18 -33.77 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.94 110.77 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -36.45 40.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.66 111.123 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -46.11 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 1.79 110.783 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.3 mt -65.94 -49.99 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.713 179.674 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.64 -42.25 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.025 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.22 82.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.65 111.134 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.0 mtpp -60.98 -40.43 93.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 1.53 110.904 179.894 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.954 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -69.99 -41.28 74.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 2.89 110.796 179.878 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -61.27 -53.26 59.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.81 111.237 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 2.7 ptm85 -50.01 -40.35 44.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 2.54 110.669 -179.807 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.78 ' CG ' HG23 ' B' ' 6' ' ' ILE . 8.6 mp -73.32 -32.55 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.453 179.24 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 24' ' ' ARG . 63.4 t -68.85 -52.49 34.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.864 0.364 . . . . 0.79 110.24 179.363 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.48 -30.67 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 2.23 109.726 179.157 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' HD2' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -73.21 -24.61 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.485 -0.779 . . . . 2.29 110.109 178.837 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . 16.6 m170 -106.56 60.01 0.18 Allowed Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.906 -0.588 . . . . 2.47 111.822 -179.865 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' A' ' 30' ' ' GLN . 55.7 Cg_endo -69.31 -35.69 13.48 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.193 1.928 . . . . 2.23 112.334 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 5.58 110.897 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 5.51 110.894 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.61 -70.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 3.11 112.498 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.67 45.17 4.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 1.66 112.561 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 65.22 13.21 8.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.568 0.223 . . . . 2.59 111.567 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 5' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' B' ' 9' ' ' LYS . 10.5 t-20 -49.3 -34.72 16.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 2.22 110.162 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.78 HG23 ' CG ' ' A' ' 27' ' ' LEU . 39.6 mt -69.1 -48.8 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.519 -0.764 . . . . 1.57 110.427 179.215 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -52.98 -38.06 61.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.94 110.833 -179.93 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.89 -39.98 25.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 2.22 110.485 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 5' ' ' ASN . 0.0 OUTLIER -60.52 -32.05 71.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 2.37 110.86 179.937 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 27' ' ' LEU . 19.3 pt -75.16 -45.54 41.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.892 -0.323 . . . . 1.11 111.406 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.32 -34.51 10.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.504 0.668 . . . . 1.51 110.164 179.675 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.43 -52.25 34.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.285 -0.87 . . . . 1.44 110.077 179.172 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.792 HG22 HD11 ' B' ' 17' ' ' ILE . 52.2 mt -58.2 -47.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.832 -0.622 . . . . 0.55 110.497 179.397 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -47.11 -35.3 6.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 1.32 111.164 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -29.27 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 1.19 110.394 179.673 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -85.78 -34.57 21.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.623 . . . . 2.03 111.205 -179.649 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -63.26 -31.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.074 0.464 . . . . 1.06 110.571 179.905 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.32 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.725 -0.671 . . . . 0.58 111.342 -179.745 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.15 -43.8 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.36 . . . . 1.58 110.945 -179.874 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 9.7 mt -68.53 -52.68 29.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.63 111.024 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -50.39 -32.08 16.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.207 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.55 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.62 110.919 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.596 ' O ' HD12 ' B' ' 27' ' ' LEU . 55.3 mttt -68.21 -31.74 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.43 111.101 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.23 -43.38 64.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 2.28 111.003 -179.926 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.75 111.286 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 8.4 ptm180 -49.22 -42.49 40.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.121 0.486 . . . . 2.89 110.419 -179.777 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.6 mt -64.15 -38.65 91.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.075 179.17 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.6 t -62.59 -42.38 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.79 110.219 179.255 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -33.32 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 2.33 109.797 179.055 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.27 -30.98 68.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 2.39 110.245 179.129 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 6' ' ' ILE . 37.4 p-80 -140.1 71.97 33.84 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.346 -0.388 . . . . 3.18 110.924 179.52 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.99 -28.92 4.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.65 2.234 . . . . 2.31 112.321 -179.998 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.233 -0.889 . . . . 5.81 110.846 -179.945 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.835 0.35 . . . . 4.94 111.162 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.16 -140.48 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 3.04 112.503 179.996 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.54 43.57 28.36 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.84 -0.695 . . . . 1.84 112.322 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -132.92 -84.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.046 0.451 . . . . 2.71 111.082 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -144.74 -44.86 0.24 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 2.64 109.563 179.705 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.618 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.1 mt -63.64 -49.43 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.629 -0.714 . . . . 1.8 109.721 178.851 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.18 -36.03 60.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 2.15 111.176 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.27 -35.03 61.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 2.21 110.578 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.99 -41.29 87.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.42 110.839 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.4 pt -70.81 -42.59 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.265 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -34.72 8.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.441 0.639 . . . . 1.48 110.057 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.6 -50.28 52.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.68 178.997 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' B' ' 23' ' ' LYS . 37.0 mt -58.73 -48.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.48 110.575 179.186 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.3 -33.62 9.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.321 -0.4 . . . . 1.29 111.124 179.727 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.47 -28.42 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 1.11 110.322 179.665 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.9 mt-10 -85.46 -34.64 21.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 2.07 110.962 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -63.66 -31.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.94 110.683 179.85 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.61 -39.35 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.66 111.337 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.65 -43.54 68.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 1.79 111.066 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.55 -54.28 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.096 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -51.63 -34.47 37.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.244 -0.434 . . . . 1.99 111.206 -179.67 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.46 65.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.65 111.087 179.94 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -71.69 -36.06 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 1.53 111.139 -179.902 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.49 -45.73 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 2.89 111.259 -179.746 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -55.48 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.81 111.197 -179.564 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.0 ptm180 -49.39 -42.58 42.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.131 0.491 . . . . 2.54 110.454 -179.9 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -64.91 -39.14 93.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.753 -0.658 . . . . 1.35 110.141 179.155 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 24' ' ' ARG . 25.6 t -61.83 -47.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.393 . . . . 0.79 110.605 179.578 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.83 -33.56 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 2.23 110.014 179.382 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -30.7 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.717 . . . . 2.29 110.43 179.271 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' HB3' HD12 ' B' ' 6' ' ' ILE . 48.3 p-80 -141.11 72.66 27.18 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 2.47 110.974 179.769 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.46 -26.7 47.33 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.532 2.155 . . . . 2.23 112.276 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 5.58 110.865 -179.984 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.728 0.299 . . . . 5.51 110.944 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 2' ' ' GLY . . . . . 0.477 ' N ' ' HB2' ' B' ' 8' ' ' GLN . . . -114.02 -43.96 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.859 -0.686 . . . . 3.11 112.311 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.47 8.14 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.625 -0.798 . . . . 1.66 111.698 -179.332 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 4' ' ' ASP . . . . . 0.404 ' O ' HG13 ' B' ' 6' ' ' ILE . 27.4 m-20 -126.22 2.29 7.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.638 0.256 . . . . 2.59 111.338 179.655 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.83 32.22 1.95 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.653 0.74 . . . . 2.22 109.214 -178.756 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 31' ' ' HIS . 3.3 mt -150.45 -52.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.543 -1.208 . . . . 1.57 108.658 -179.342 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.31 -24.97 3.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.282 -1.326 . . . . 1.94 110.337 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.477 ' HB2' ' N ' ' B' ' 2' ' ' GLY . 4.4 tm0? -75.12 -47.9 26.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 2.22 110.454 179.394 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -57.63 -37.05 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.665 -0.698 . . . . 2.37 111.188 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.433 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.1 pt -71.12 -43.44 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 1.11 111.481 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.433 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.8 t0 -49.69 -34.66 19.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.386 0.612 . . . . 1.51 109.986 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -67.46 -48.07 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.594 179.02 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 23' ' ' LYS . 21.6 mt -59.99 -46.91 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.516 -0.765 . . . . 0.55 110.371 179.162 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -47.98 -34.3 9.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.378 . . . . 1.32 111.099 179.79 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -29.21 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.19 110.372 179.685 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -84.42 -33.8 23.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 2.03 111.118 -179.805 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.55 -32.41 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.478 . . . . 1.06 110.716 179.903 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.28 -39.14 33.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.58 111.306 -179.668 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -54.19 -44.26 71.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.38 -0.373 . . . . 1.58 111.167 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -67.79 -52.96 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.63 111.179 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.201 -179.718 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.52 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.62 111.085 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 13' ' ' ILE . 15.0 mtpt -69.47 -35.61 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.43 111.101 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.882 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -69.28 -44.55 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.142 -179.815 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -53.55 53.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.268 -179.746 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -50.32 -43.32 53.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.031 0.443 . . . . 2.89 110.607 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.537 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.4 mm? -64.5 -35.71 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 1.38 110.202 179.33 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.323 179.4 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -32.57 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 2.33 109.767 179.111 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.12 -30.06 66.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.307 179.118 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.618 ' CE1' HG22 ' A' ' 6' ' ' ILE . 46.8 p-80 -146.39 69.2 12.59 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.18 111.059 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.26 177.51 4.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.56 2.174 . . . . 2.31 112.293 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.308 -0.854 . . . . 5.81 110.861 179.989 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.773 0.32 . . . . 4.94 111.207 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 8' ' ' GLN . . . 127.38 119.34 2.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.719 . . . . 3.04 112.626 179.964 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.97 -28.07 11.53 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.364 -0.922 . . . . 1.84 111.476 179.074 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.68 -16.83 13.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.873 0.368 . . . . 2.71 110.746 179.221 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.98 30.48 0.91 Allowed 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.689 0.757 . . . . 2.64 109.025 -178.761 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.3 mt -152.76 -56.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.557 -1.201 . . . . 1.8 109.063 -178.997 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.47 -26.76 8.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.588 -1.187 . . . . 2.15 110.424 178.683 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' HB2' ' HA2' ' A' ' 2' ' ' GLY . 3.7 tp-100 -80.96 -43.25 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.216 179.412 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' CD ' HD21 ' B' ' 27' ' ' LEU . 10.8 ttmm -59.25 -34.08 71.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.838 179.782 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.499 HG23 HD23 ' B' ' 27' ' ' LEU . 19.5 pt -72.68 -43.91 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.3 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.5 m-20 -48.84 -34.82 13.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.454 0.645 . . . . 1.48 109.941 179.66 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.6 t0 -67.94 -46.98 69.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.201 -0.909 . . . . 1.41 109.626 178.891 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.734 HG22 HD11 ' A' ' 17' ' ' ILE . 40.5 mt -61.21 -47.94 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.48 110.523 179.269 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.977 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.7 t0 -47.49 -35.0 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.87 0.367 . . . . 1.29 111.239 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -28.83 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.145 0.498 . . . . 1.11 110.525 179.656 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.6 -33.14 23.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.009 -179.799 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.8 mt -64.49 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.705 179.826 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.81 36.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.43 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -44.04 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 1.79 111.181 -179.844 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -67.61 -53.5 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.63 111.233 -179.853 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -50.7 -31.03 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.99 111.254 -179.663 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.52 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.65 111.241 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB3' HD13 ' B' ' 13' ' ' ILE . 20.4 mttm -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.53 111.2 -179.839 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.878 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -72.22 -43.67 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 2.89 111.208 -179.732 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -53.7 50.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.333 . . . . 0.81 111.382 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -49.74 -43.6 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.052 0.453 . . . . 2.54 110.563 -179.763 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER -64.34 -36.53 84.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 1.35 110.199 179.307 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.4 t -63.28 -44.58 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.79 110.251 179.348 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -33.6 45.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 2.23 109.674 179.064 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.43 -30.81 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.579 -0.737 . . . . 2.29 110.409 179.06 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' B' ' 6' ' ' ILE . 38.8 p-80 -145.32 82.13 9.92 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.277 -0.42 . . . . 2.47 110.986 179.492 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.72 62.01 3.75 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.594 2.196 . . . . 2.23 112.293 -179.945 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 5.58 110.851 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 43.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.745 0.307 . . . . 5.51 110.896 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.35 -83.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 3.11 112.48 179.922 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 45.28 40.31 7.7 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.974 -0.631 . . . . 1.66 112.381 -179.91 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -123.3 -84.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.45 . . . . 2.59 110.917 -179.266 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -140.53 -44.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.656 . . . . 2.22 109.392 179.596 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.3 mt -63.43 -49.97 80.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.635 -0.711 . . . . 1.57 109.637 178.538 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -34.31 65.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.058 -0.974 . . . . 1.94 110.915 179.787 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.93 -35.73 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.391 179.67 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.95 -41.95 97.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 2.37 110.738 179.772 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.3 pt -70.63 -42.89 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.11 111.21 179.932 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 17.8 t0 -47.94 -34.47 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.349 0.595 . . . . 1.51 109.983 179.72 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.4 OUTLIER -68.48 -50.1 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.385 -0.825 . . . . 1.44 109.718 178.901 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.763 HG22 HD11 ' B' ' 17' ' ' ILE . 36.0 mt -58.8 -48.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.415 179.148 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -33.5 10.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 1.32 111.157 179.815 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -28.07 60.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 1.19 110.361 179.531 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 19.2 mt-10 -85.7 -35.23 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 2.03 110.891 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.3 mt -63.0 -31.93 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.06 110.592 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 -38.13 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.58 111.031 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -54.06 -43.49 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.999 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -71.16 -52.84 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.01 179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -52.59 -35.44 54.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.98 111.122 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.97 65.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.62 111.136 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.672 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -75.22 -35.25 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.43 111.079 -179.843 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.889 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -68.6 -44.04 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 2.28 111.21 -179.758 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -58.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.75 111.281 -179.649 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' NH1' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -47.53 -34.01 7.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 2.89 110.509 -179.903 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 23' ' ' LYS . 4.9 mp -70.76 -41.89 71.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.94 -0.573 . . . . 1.38 109.769 178.847 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -59.41 -49.14 84.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.546 . . . . 0.79 110.57 179.39 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -34.85 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 2.33 109.833 179.223 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.69 -29.64 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.39 110.432 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.0 p-80 -140.77 77.68 21.58 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.287 -0.415 . . . . 3.18 110.952 179.667 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.13 -26.89 42.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.59 2.193 . . . . 2.31 112.317 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.17 -0.919 . . . . 5.81 110.915 179.963 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.831 0.348 . . . . 4.94 111.165 . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.41 -120.72 4.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 3.04 112.476 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.22 79.96 0.16 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 1.84 112.525 -179.964 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 62.56 16.91 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 2.71 111.385 179.955 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.25 -30.08 49.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.243 0.544 . . . . 2.64 110.103 179.636 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -75.5 -45.76 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.375 -0.83 . . . . 1.8 110.297 179.269 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.6 tt0 -55.84 -26.16 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.664 -0.698 . . . . 2.15 110.771 179.53 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -43.58 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 2.21 110.198 179.514 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -60.31 -40.83 91.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.65 -0.705 . . . . 2.42 110.76 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.5 pt -68.57 -42.77 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.95 111.046 179.913 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.6 t0 -47.98 -35.39 10.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.386 0.612 . . . . 1.48 109.88 179.516 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.29 -49.16 68.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.323 -0.853 . . . . 1.41 109.49 178.766 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 17' ' ' ILE . 39.3 mt -60.21 -47.27 92.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 0.48 110.36 179.108 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.6 t70 -48.06 -32.16 6.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 1.29 111.025 179.738 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -76.24 -29.29 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.382 179.595 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.8 mt-10 -84.38 -34.33 23.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.921 -0.581 . . . . 2.07 110.978 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -65.24 -33.03 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.768 179.946 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.64 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.66 111.251 -179.784 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -54.31 -46.5 72.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 1.79 110.879 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' B' ' 20' ' ' LEU . 11.0 mt -65.4 -50.24 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.63 110.95 179.819 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -53.16 -42.3 66.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 1.99 111.267 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.75 79.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.65 111.274 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' HD13 ' B' ' 13' ' ' ILE . 13.4 mtpt -65.15 -36.78 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 1.53 111.141 -179.851 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.932 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -72.34 -46.21 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 2.89 110.915 -179.943 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -50.54 71.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 0.81 111.285 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 27' ' ' LEU . 12.1 ptt180 -54.08 -42.14 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 2.54 110.607 -179.85 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' HG ' HG23 ' B' ' 6' ' ' ILE . 7.5 mp -73.36 -31.17 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 1.35 110.48 179.002 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 24' ' ' ARG . 94.4 t -68.86 -49.87 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.79 110.442 179.468 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -53.41 -35.77 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.3 0.571 . . . . 2.23 109.644 179.192 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' O ' ' HD2' ' A' ' 32' ' ' PRO . 11.4 tp-100 -70.24 -24.45 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.345 -0.843 . . . . 2.29 110.044 178.702 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . 11.8 m170 -106.55 62.72 0.18 Allowed Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.819 -0.628 . . . . 2.47 111.532 -179.847 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' A' ' 30' ' ' GLN . 35.0 Cg_endo -64.87 -26.95 59.18 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.408 2.072 . . . . 2.23 112.248 -179.987 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.58 110.863 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.819 0.343 . . . . 5.51 110.932 . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.13 139.2 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 3.11 112.482 179.965 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.61 58.3 0.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 1.66 112.468 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.5 13.0 8.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.612 0.226 . . . . 2.59 111.612 -179.981 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.43 -29.92 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 2.22 110.288 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.796 HG23 ' HG ' ' A' ' 27' ' ' LEU . 66.4 mt -76.29 -50.16 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.636 -0.711 . . . . 1.57 110.605 179.396 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.32 -39.13 63.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 1.94 111.083 -179.669 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.34 -39.32 25.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.009 -0.541 . . . . 2.22 110.538 179.872 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.57 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.4 ttmm -61.28 -37.69 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 2.37 110.746 179.906 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.732 HG23 HD23 ' A' ' 27' ' ' LEU . 13.9 pt -69.0 -46.52 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 1.11 111.448 179.981 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -49.87 -33.87 18.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.498 0.665 . . . . 1.51 110.198 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -50.46 50.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.323 -0.853 . . . . 1.44 109.888 179.183 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' B' ' 17' ' ' ILE . 46.5 mt -58.4 -47.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 0.55 110.381 179.278 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -47.19 -35.84 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.234 179.845 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -28.89 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 1.19 110.376 179.666 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -86.18 -34.49 20.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.895 -0.593 . . . . 2.03 111.322 -179.61 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -63.51 -31.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 1.06 110.631 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -40.53 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.58 111.257 -179.78 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.37 -44.1 68.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 1.58 110.958 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -68.13 -53.11 27.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.981 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -50.46 -33.16 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.98 111.332 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.31 76.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.62 111.151 -179.944 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 20' ' ' LEU . 10.7 mttm -66.71 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 1.43 111.197 -179.865 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.888 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.59 -44.49 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 2.28 111.259 -179.787 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -53.98 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.75 111.295 -179.633 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -49.58 -44.16 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 2.89 110.485 -179.815 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 10' ' ' ILE . 5.7 mp -63.74 -37.66 88.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 1.38 110.165 179.303 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.9 t -62.15 -45.8 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.79 110.413 179.359 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.8 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 2.33 109.698 179.031 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.83 -32.12 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 2.39 110.249 179.151 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' A' ' 6' ' ' ILE . 22.1 p-80 -138.97 76.06 34.32 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.287 -0.415 . . . . 3.18 111.036 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.08 56.29 5.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.638 2.225 . . . . 2.31 112.416 -179.987 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 5.81 110.939 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HA ' HD11 ' A' ' 10' ' ' ILE . 17.7 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.895 0.379 . . . . 2.17 110.74 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -76.97 -41.93 41.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 2.37 110.319 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -62.49 -38.96 91.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.669 -0.696 . . . . 2.13 110.671 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.7 pt -70.81 -43.47 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.5 111.233 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.64 -33.99 16.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.478 0.656 . . . . 1.57 109.825 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.57 71.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.195 -0.911 . . . . 1.72 109.114 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' A' ' 17' ' ' ILE . 29.4 mt -59.85 -47.03 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.353 -0.839 . . . . 0.48 110.193 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.6 -32.56 8.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 1.24 111.113 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -28.82 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.71 110.191 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.2 mt-10 -84.98 -34.32 22.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.843 -0.617 . . . . 2.04 111.127 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -64.53 -33.24 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.41 110.682 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.41 -38.34 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.45 111.235 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -44.57 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.394 . . . . 1.54 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 11.1 mt -67.28 -51.84 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.65 -33.92 35.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 1.77 111.286 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.97 71.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.55 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.81 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.26 -33.37 74.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 2.0 111.091 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -71.72 -46.99 56.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.8 111.3 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -55.54 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.56 111.195 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -43.72 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 2.74 110.333 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 1.21 110.064 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.952 0.406 . . . . 1.88 110.82 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -76.8 -43.44 36.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 2.42 110.301 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -61.22 -39.61 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.732 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.8 pt -69.78 -43.48 79.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.49 111.226 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.22 -34.14 14.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.452 0.644 . . . . 1.63 109.878 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.43 -47.77 72.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.261 -0.881 . . . . 1.68 109.052 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.697 HG22 HD11 ' B' ' 17' ' ' ILE . 20.1 mt -59.44 -46.5 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.287 -0.869 . . . . 0.44 110.16 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.9 t0 -48.48 -33.09 8.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 1.18 111.055 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.66 60.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.69 110.195 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -85.42 -34.6 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 2.03 111.206 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.8 mt -64.07 -32.74 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.39 110.697 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 -39.6 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 0.43 111.222 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.81 -43.37 69.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 1.57 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -68.41 -52.29 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.56 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -52.26 -33.37 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 1.75 111.249 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.82 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.56 111.08 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.883 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -69.94 -33.21 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.82 111.156 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.18 -43.83 70.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.351 -0.386 . . . . 0.9 111.168 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -55.36 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.66 111.288 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.1 ptm180 -50.06 -42.54 50.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.132 0.492 . . . . 2.77 110.45 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.883 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.4 OUTLIER -63.83 -36.96 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.639 . . . . 1.43 110.003 179.094 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.58 -44.06 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.83 110.04 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -32.17 33.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 2.13 109.495 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.08 -31.81 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.509 -0.769 . . . . 2.16 110.24 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 20.7 p-80 . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 116.284 -0.416 . . . . 1.26 111.007 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.82 0.343 . . . . 2.15 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -79.92 -43.38 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 2.21 110.361 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.589 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -59.9 -36.21 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.654 -0.703 . . . . 2.42 110.768 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -70.49 -43.16 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.132 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -49.14 -34.42 14.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.395 0.617 . . . . 1.48 109.804 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.7 m-20 -67.27 -47.73 69.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.299 -0.864 . . . . 1.41 109.584 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.737 HG22 HD11 ' A' ' 17' ' ' ILE . 42.2 mt -60.94 -47.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.657 -0.701 . . . . 0.48 110.372 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.25 -32.65 7.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.085 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -76.03 -28.83 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.359 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.3 mm-40 -84.45 -33.8 23.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.988 -0.551 . . . . 2.07 110.885 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.6 -33.96 66.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.952 -0.567 . . . . 0.94 110.727 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.55 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.814 -0.63 . . . . 0.66 111.167 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.17 -44.36 71.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 1.79 110.997 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.83 -50.31 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.63 111.003 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.62 -33.73 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.99 111.133 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.47 66.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.65 111.124 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -70.89 -32.9 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.53 111.057 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.621 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.4 ttt-85 -72.24 -42.7 65.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 2.89 111.062 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -54.48 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.81 111.231 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -48.72 -43.18 37.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 2.54 110.504 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 1.35 110.075 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.7 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.899 0.381 . . . . 1.94 110.729 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -79.02 -43.7 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.138 0.494 . . . . 2.22 110.151 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 2.37 110.69 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.57 -42.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 1.11 111.021 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.6 OUTLIER -48.04 -34.87 10.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.403 0.62 . . . . 1.51 109.791 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.05 -48.26 68.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.851 . . . . 1.44 109.446 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' B' ' 17' ' ' ILE . 31.1 mt -59.82 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.597 -0.729 . . . . 0.55 110.371 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.1 t70 -48.68 -32.41 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.93 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.19 110.309 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.4 mt-10 -85.32 -35.02 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.39 -33.18 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.06 110.721 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -36.76 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.152 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.15 -45.35 71.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.941 0.401 . . . . 1.58 110.811 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 20' ' ' LEU . 7.5 mt -68.46 -50.5 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.63 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -52.24 -31.29 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.98 111.074 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.78 -33.75 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.62 111.068 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -33.01 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 1.43 110.956 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.876 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -71.76 -40.9 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.042 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -55.52 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.75 111.372 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.413 ' NH1' HD12 ' B' ' 27' ' ' LEU . 7.4 ptm180 -48.72 -42.72 36.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.07 0.462 . . . . 2.89 110.517 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.589 HD21 ' HD2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -62.94 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.629 . . . . 1.38 109.949 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.9 t -61.47 -44.82 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.79 110.128 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -31.54 35.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 2.33 109.713 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.569 -0.742 . . . . 2.39 110.307 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 23.3 p-80 . . . . . 0 C--N 1.333 -0.131 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.02 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.946 0.403 . . . . 2.15 110.722 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -43.67 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 2.21 110.156 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -60.83 -43.18 98.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.699 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' B' ' 24' ' ' ARG . 13.9 pt -67.15 -42.5 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.95 111.058 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.18 -35.17 11.22 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.886 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -47.09 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.36 -0.836 . . . . 1.41 109.504 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 17' ' ' ILE . 35.3 mt -61.34 -47.72 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.48 110.314 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.921 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t70 -47.96 -31.8 5.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.025 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.9 -29.24 55.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 1.11 110.449 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -84.53 -33.33 23.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 2.07 110.937 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.71 -36.3 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 0.94 110.66 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.06 -34.91 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.691 -0.686 . . . . 0.66 111.277 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -47.95 73.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.79 110.737 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' B' ' 20' ' ' LEU . 7.0 mt -64.01 -51.68 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.838 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -49.03 -30.37 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.474 . . . . 1.99 111.044 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.85 67.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.65 111.004 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.19 -33.23 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 1.53 111.054 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.1 ttt-85 -71.63 -43.11 66.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 2.89 111.129 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -54.73 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.81 111.253 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -49.21 -44.98 43.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 2.54 110.407 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.763 -0.653 . . . . 1.35 109.899 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 CA--C 1.524 -0.041 0 CA-C-O 120.951 0.405 . . . . 1.94 110.722 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.43 -43.2 27.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 2.22 110.114 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -60.57 -36.51 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.567 -0.742 . . . . 2.37 110.815 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.1 pt -70.69 -43.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 1.11 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -48.51 -34.47 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.404 0.621 . . . . 1.51 109.817 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.3 OUTLIER -67.33 -47.01 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.273 -0.876 . . . . 1.44 109.515 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.756 HG22 HD11 ' B' ' 17' ' ' ILE . 35.4 mt -61.0 -48.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.55 110.372 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.41 -31.82 6.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 1.32 110.97 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.38 -28.38 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.393 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 2.03 110.944 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.9 mt -64.17 -34.63 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 1.06 110.647 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.82 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.693 -0.685 . . . . 0.58 111.285 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.33 -43.48 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 1.58 110.848 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -69.6 -49.74 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.63 110.85 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.18 -34.69 32.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 1.98 111.121 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.27 73.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.62 111.035 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -67.07 -32.96 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.43 111.056 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -73.36 -42.96 61.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.28 111.101 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -53.66 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.75 111.209 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -49.85 -44.93 49.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.139 0.495 . . . . 2.89 110.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.413 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 mt -61.57 -37.31 83.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 1.38 110.0 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.2 t -64.82 -43.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.79 110.091 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -52.99 -28.52 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 2.33 109.855 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -76.49 -31.16 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.39 110.497 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.1 p-80 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.9 0.381 . . . . 3.18 110.994 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 10' ' ' ILE . 8.1 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 2.15 110.809 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -74.71 -40.35 61.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.111 0.482 . . . . 2.21 110.195 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -60.69 -40.0 90.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.89 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.6 pt -70.06 -43.18 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.95 111.097 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.7 t70 -47.99 -34.41 9.26 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.389 0.614 . . . . 1.48 109.998 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -68.22 -48.29 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.324 -0.853 . . . . 1.41 109.597 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 17' ' ' ILE . 35.2 mt -59.93 -48.05 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.692 -0.685 . . . . 0.48 110.287 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.83 -32.82 9.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.223 -0.444 . . . . 1.29 111.136 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.87 -28.15 60.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.11 110.288 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 mm-40 -85.7 -35.81 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 2.07 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -62.54 -32.25 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.94 110.64 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.62 -37.16 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.66 111.082 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -54.18 -43.89 71.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.948 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 11.3 mt -70.33 -51.52 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.983 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -32.68 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.99 111.144 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.98 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.65 111.225 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.64 -35.48 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 1.53 111.032 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.3 OUTLIER -66.55 -44.71 81.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 2.89 111.136 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -55.36 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.81 111.239 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -48.8 -42.28 35.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.084 0.469 . . . . 2.54 110.435 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 23' ' ' LYS . 3.6 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 1.35 109.938 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.459 0.009 0 CA-C-O 120.836 0.35 . . . . 1.94 110.82 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.23 -41.79 39.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.163 -0.472 . . . . 2.22 110.335 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.51 80.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 2.37 110.817 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.437 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.3 pt -71.89 -43.87 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 1.11 111.223 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.0 m-20 -49.0 -34.66 13.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.392 0.615 . . . . 1.51 109.88 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 13.1 t0 -67.6 -46.79 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.44 109.521 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' B' ' 17' ' ' ILE . 47.8 mt -61.2 -47.73 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.55 110.29 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.1 t0 -47.89 -33.13 7.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.182 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -75.81 -28.91 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.19 110.418 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.64 -33.84 23.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 2.03 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.7 mt -64.07 -34.31 67.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 1.06 110.649 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 -37.66 43.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.756 -0.657 . . . . 0.58 111.252 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -45.13 73.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.883 0.373 . . . . 1.58 111.09 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 7.6 mt -67.13 -52.99 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.63 111.104 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -33.47 14.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.225 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -33.5 66.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.62 111.137 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 13' ' ' ILE . 10.7 mtpp -70.89 -32.83 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 1.43 111.123 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.74 -42.17 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 2.28 111.236 -179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -54.17 39.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.75 111.339 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -49.66 -44.18 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 2.89 110.476 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.455 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.69 -36.52 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 1.38 110.109 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.71 -43.2 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.79 110.133 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.69 -33.16 46.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 2.33 109.65 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.79 -31.7 69.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.577 -0.738 . . . . 2.39 110.199 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.2 p-80 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 3.18 110.971 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.855 0.359 . . . . 2.15 110.803 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -42.29 21.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.187 0.518 . . . . 2.21 110.149 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.641 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -60.23 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.601 -0.727 . . . . 2.42 110.765 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.2 pt -71.84 -43.53 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.95 111.049 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 14.0 t70 -48.7 -34.62 12.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.354 0.597 . . . . 1.48 109.748 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.97 -49.36 65.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.356 -0.838 . . . . 1.41 109.641 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.681 HG22 HD11 ' A' ' 17' ' ' ILE . 42.9 mt -59.67 -47.29 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.48 110.406 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.43 -32.87 8.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.002 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.66 -28.41 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 1.11 110.381 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.59 -33.85 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 2.07 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.0 mt -64.31 -33.9 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.94 110.663 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.35 -37.08 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.66 111.356 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.98 -43.94 70.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.946 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' B' ' 20' ' ' LEU . 9.6 mt -69.04 -50.76 45.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.937 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.26 -34.65 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 1.99 111.089 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.66 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.65 111.019 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.574 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.3 mtpp -69.46 -32.48 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 1.53 111.135 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -71.12 -47.09 59.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 2.89 111.284 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -55.73 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.294 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -43.45 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.069 0.462 . . . . 2.54 110.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 23' ' ' LYS . 1.6 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 1.35 109.956 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.35 . . . . 1.94 110.757 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -78.1 -41.28 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 2.22 110.318 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.74 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.718 -0.673 . . . . 2.37 110.706 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.419 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.6 pt -68.93 -43.28 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.052 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t70 -49.95 -34.7 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 1.51 109.738 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.05 -45.34 81.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.354 -0.839 . . . . 1.44 109.099 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' B' ' 17' ' ' ILE . 34.3 mt -61.05 -45.68 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.327 -0.851 . . . . 0.55 109.956 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.8 t0 -48.68 -32.57 8.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.319 -0.4 . . . . 1.32 110.875 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.53 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.362 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mt-10 -85.06 -33.87 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 2.03 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.24 -34.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 1.06 110.683 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -36.2 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.686 -0.688 . . . . 0.58 111.157 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.73 -44.96 73.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.58 110.895 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 20' ' ' LEU . 6.5 mt -67.69 -50.71 56.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.63 110.912 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -51.71 -30.62 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.98 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -34.0 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.62 110.908 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.06 -34.83 75.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 1.43 110.875 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.881 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.68 -42.23 74.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 2.28 110.887 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -55.28 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.259 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -48.74 -42.79 36.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.105 0.479 . . . . 2.89 110.46 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.641 HD21 ' HD2' ' A' ' 9' ' ' LYS . 5.0 mp -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.38 110.001 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -61.2 -43.45 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.27 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.03 -33.58 52.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.8 -0.637 . . . . 2.33 109.602 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.31 -31.32 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.208 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 19.4 p-80 . . . . . 0 C--N 1.333 -0.129 0 CA-C-N 116.322 -0.399 . . . . 3.18 111.01 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 10' ' ' ILE . 2.8 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.895 0.378 . . . . 2.15 110.793 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.48 -44.55 43.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 2.21 110.201 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -43.87 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.76 -0.654 . . . . 2.42 110.74 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.1 pt -67.29 -42.69 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 0.95 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.34 -35.65 8.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.413 0.625 . . . . 1.48 109.909 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.61 -48.65 68.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.489 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' A' ' 17' ' ' ILE . 28.3 mt -60.08 -46.92 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.48 110.376 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.14 -32.85 7.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.287 -0.415 . . . . 1.29 111.045 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -29.17 59.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.11 110.27 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.6 mt-10 -84.69 -33.72 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 2.07 110.982 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.88 -32.95 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.762 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.79 35.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.66 111.357 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.35 -45.05 69.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.958 0.409 . . . . 1.79 110.904 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 20' ' ' LEU . 10.4 mt -68.3 -49.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.63 110.889 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.74 -37.31 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.99 111.108 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.31 -35.02 77.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.65 110.852 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.9 mtpt -65.37 -33.11 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 1.53 111.073 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.701 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -73.37 -46.93 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 2.89 111.176 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -52.12 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.81 111.332 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -51.72 -47.58 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 2.54 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 HG23 ' B' ' 10' ' ' ILE . 6.6 mp . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 1.35 110.043 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.423 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.907 0.384 . . . . 1.94 110.794 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -76.75 -41.69 43.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 2.22 110.262 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE2' HD21 ' A' ' 27' ' ' LEU . 6.6 mtpt -61.75 -40.72 96.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 2.37 110.684 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.492 HG23 HD23 ' A' ' 27' ' ' LEU . 17.4 pt -69.53 -43.04 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.152 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -48.8 -34.91 13.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.386 0.612 . . . . 1.51 109.985 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.0 -47.73 70.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.309 -0.86 . . . . 1.44 109.398 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.721 HD13 ' HB3' ' A' ' 23' ' ' LYS . 24.1 mt -60.04 -46.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.463 -0.79 . . . . 0.55 110.162 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.71 -32.53 8.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.009 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -28.78 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.19 110.304 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.0 mm-40 -85.03 -33.9 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 2.03 111.009 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.2 -32.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.06 110.773 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.33 -37.31 32.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 0.58 111.25 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.49 -43.74 68.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 20' ' ' LEU . 7.3 mt -70.13 -49.94 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.63 110.969 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -37.68 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.159 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.31 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.62 111.196 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.568 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.4 mtpt -70.26 -32.46 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.43 111.02 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.7 ttt-85 -72.42 -43.99 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 2.28 111.088 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -53.89 48.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.395 . . . . 0.75 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -48.96 -43.67 40.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.089 0.471 . . . . 2.89 110.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.2 mt -63.55 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.779 -0.646 . . . . 1.38 110.126 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 23.2 t -63.81 -44.06 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.79 110.249 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -31.52 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 2.33 109.807 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -71.37 -32.17 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.634 -0.712 . . . . 2.39 110.285 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 22.9 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.278 -0.419 . . . . 3.18 111.004 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.867 0.365 . . . . 2.15 110.718 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -78.45 -40.83 34.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 2.21 110.132 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -61.74 -38.97 89.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.698 -0.683 . . . . 2.42 110.777 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.445 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.0 pt -69.45 -43.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.06 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -48.87 -35.49 14.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.447 0.642 . . . . 1.48 109.658 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -66.67 -44.61 81.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.228 -0.897 . . . . 1.41 109.101 178.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 17' ' ' ILE . 14.7 mt -60.9 -47.28 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 0.48 110.139 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.7 t0 -48.51 -32.63 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.947 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -28.58 59.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.11 110.335 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' HD12 ' B' ' 20' ' ' LEU . 15.5 mt-10 -85.31 -35.25 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 2.07 110.981 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -63.16 -33.23 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.542 . . . . 0.94 110.715 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -36.57 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.702 -0.681 . . . . 0.66 111.17 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -44.13 71.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 1.79 110.809 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.5 mt -69.21 -51.14 40.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.63 110.862 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.87 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 1.99 111.098 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.81 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.65 110.936 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -68.62 -35.54 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 1.53 110.852 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.34 -41.58 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 2.89 111.158 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -54.81 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.81 111.411 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -49.36 -44.08 44.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.07 0.462 . . . . 2.54 110.473 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.601 . . . . 1.35 109.866 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.941 0.401 . . . . 1.94 110.744 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -77.83 -42.57 33.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 2.22 110.127 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.97 -36.81 80.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 2.37 110.79 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.2 pt -71.25 -43.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 1.11 111.151 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 7.4 t70 -48.39 -34.75 11.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.348 0.594 . . . . 1.51 109.761 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 32.5 m-20 -67.53 -47.49 69.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.3 -0.864 . . . . 1.44 109.543 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.696 HG22 HD11 ' B' ' 17' ' ' ILE . 35.7 mt -60.47 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.55 110.345 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.54 -32.55 8.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.32 111.019 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.62 -28.26 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.19 110.389 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 5.8 mm-40 -85.08 -35.12 22.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 2.03 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -62.96 -34.53 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.06 110.623 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.9 38.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.744 -0.662 . . . . 0.58 111.193 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.13 -41.68 68.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.58 111.074 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -70.91 -56.14 6.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.63 111.069 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -39.19 36.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 1.98 111.12 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.51 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.817 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD23 ' B' ' 27' ' ' LEU . 10.1 mtpp -74.54 -33.18 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 1.43 110.926 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 19.5 ttt180 -72.33 -44.22 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 2.28 111.149 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -54.45 45.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.75 110.829 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -49.84 -42.78 48.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.89 110.335 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.0 mm? -63.49 -38.16 90.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.794 -0.639 . . . . 1.38 109.888 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.0 t -64.18 -43.08 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.79 110.339 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -52.83 -32.78 46.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 2.33 109.978 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -71.2 -32.03 68.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 2.39 110.329 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 38.5 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.905 0.383 . . . . 3.18 111.092 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 10' ' ' ILE . 7.0 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.844 0.354 . . . . 2.15 110.667 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -75.55 -43.1 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 2.21 110.086 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -43.96 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 2.42 110.698 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.1 pt -66.61 -42.48 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.95 110.911 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.65 -35.18 9.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.378 0.609 . . . . 1.48 109.879 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.82 -48.51 68.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.61 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' A' ' 17' ' ' ILE . 38.4 mt -60.17 -47.11 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.632 -0.713 . . . . 0.48 110.335 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.9 t0 -48.73 -31.98 7.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 1.29 110.985 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.64 58.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.334 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.32 -33.69 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -65.13 -33.57 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.593 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -36.52 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.66 111.218 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -53.28 -43.37 67.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 1.79 110.837 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' B' ' 20' ' ' LEU . 6.8 mt -70.33 -50.14 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.63 110.757 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.56 -34.99 52.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.88 -33.09 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.65 110.898 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.43 -36.42 81.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 1.53 110.835 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.726 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -65.81 -46.85 77.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 2.89 111.067 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -55.56 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.227 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.6 ptm180 -49.64 -43.56 46.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.101 0.476 . . . . 2.54 110.432 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 23' ' ' LYS . 3.1 mm? . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 1.35 109.968 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.826 0.346 . . . . 1.94 110.686 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -39.25 29.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.11 0.481 . . . . 2.22 110.244 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -36.9 84.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 2.37 110.656 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.0 pt -70.11 -43.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.11 111.133 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.4 t0 -50.63 -34.82 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.429 0.633 . . . . 1.51 109.722 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -44.99 83.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.241 -0.89 . . . . 1.44 109.201 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.678 HG22 HD11 ' B' ' 17' ' ' ILE . 25.3 mt -61.9 -46.84 95.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.313 -0.858 . . . . 0.55 110.134 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.9 t0 -47.99 -31.46 5.35 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.277 -0.42 . . . . 1.32 110.93 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -30.13 55.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 1.19 110.493 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.9 mt-10 -83.9 -32.31 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.599 . . . . 2.03 111.012 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -65.71 -36.25 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 1.06 110.718 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.36 55.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 0.58 111.356 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 1.58 110.857 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' A' ' 20' ' ' LEU . 6.3 mt -63.8 -51.1 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.63 110.79 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -48.86 -30.58 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 1.98 110.976 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.99 -36.85 67.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.62 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -66.4 -31.89 72.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 1.43 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.22 -42.61 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 2.28 111.122 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -54.25 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.75 111.32 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.9 -45.49 50.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.104 0.478 . . . . 2.89 110.399 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.435 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 mt -60.38 -36.75 78.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.811 -0.632 . . . . 1.38 110.077 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.1 t -65.14 -42.5 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.79 110.108 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -52.78 -29.5 27.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.876 -0.602 . . . . 2.33 109.955 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.42 -31.08 57.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 2.39 110.471 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.6 p-80 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.946 0.403 . . . . 3.18 111.08 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.905 0.383 . . . . 2.15 110.801 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -79.81 -40.48 28.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 2.21 110.119 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.14 -36.31 79.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 2.42 110.732 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.6 pt -71.12 -43.21 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.383 -0.371 . . . . 0.95 111.09 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.44 -34.34 16.39 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.372 0.606 . . . . 1.48 109.826 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.5 m-20 -67.82 -45.85 73.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.523 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 30.6 mt -61.7 -47.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.551 -0.75 . . . . 0.48 110.327 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.86 -32.4 8.8 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.3 -0.409 . . . . 1.29 111.003 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.97 -28.51 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 1.11 110.357 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.4 mm-40 -84.06 -33.99 24.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 2.07 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.7 mt -64.28 -34.84 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.94 110.743 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -35.86 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.66 111.436 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 1.79 110.78 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -62.79 -52.97 61.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.63 110.945 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.48 -30.15 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 1.99 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.09 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.65 110.935 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -67.83 -31.32 71.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.17 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.727 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -71.97 -42.46 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 2.89 111.248 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.22 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.81 111.464 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -39.09 26.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.037 0.446 . . . . 2.54 110.645 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 1.35 109.948 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.905 0.383 . . . . 1.94 110.753 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -40.18 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 2.22 110.11 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -61.78 -36.92 82.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 2.37 110.803 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.28 -43.58 78.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.11 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.2 m-20 -49.71 -34.64 19.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.433 0.635 . . . . 1.51 109.804 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.14 -45.57 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.356 178.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.715 HG22 HD11 ' B' ' 17' ' ' ILE . 19.4 mt -61.16 -48.06 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.55 110.221 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.9 t0 -48.7 -31.62 7.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.242 -0.435 . . . . 1.32 111.0 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -28.46 57.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.19 110.357 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 6.4 mm-40 -85.54 -34.68 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.843 -0.617 . . . . 2.03 110.967 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.6 mt -64.17 -33.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 1.06 110.74 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.58 33.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.647 . . . . 0.58 111.16 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.8 -43.61 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.58 110.839 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.56 -51.05 39.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.63 110.837 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.12 -32.89 37.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.115 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.57 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.62 110.904 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.17 -36.46 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.43 111.03 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.883 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -67.85 -43.71 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 2.28 111.027 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.34 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.75 111.227 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 15.1 ptm180 -49.36 -44.07 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 2.89 110.367 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 1.38 109.937 179.146 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 24' ' ' ARG . 27.9 t -64.53 -44.47 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.059 -0.519 . . . . 0.79 110.106 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.39 -28.04 18.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.815 -0.629 . . . . 2.33 109.9 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -32.07 59.08 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.654 -0.703 . . . . 2.39 110.421 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.6 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.083 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.1 tp10 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.927 0.394 . . . . 2.15 110.793 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.52 -44.95 40.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.14 0.495 . . . . 2.21 110.201 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -59.95 -43.64 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.841 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.468 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.0 pt -67.2 -42.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.95 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -47.36 -35.5 8.27 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.4 0.619 . . . . 1.48 109.931 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -47.57 71.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.869 . . . . 1.41 109.371 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.646 HG22 HD11 ' A' ' 17' ' ' ILE . 24.8 mt -60.25 -46.76 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.602 -0.726 . . . . 0.48 110.305 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.28 -32.86 7.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.988 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.36 -29.09 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.399 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.4 mt-10 -84.91 -33.46 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 2.07 111.031 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -65.19 -32.67 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.94 110.704 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.44 -37.37 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.66 111.239 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.4 -45.01 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.96 0.409 . . . . 1.79 110.822 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' B' ' 20' ' ' LEU . 7.3 mt -68.62 -50.12 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.63 110.905 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -50.4 -36.85 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.99 111.144 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.65 110.962 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.801 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.3 -33.28 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 1.53 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -74.37 -46.96 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 2.89 111.162 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -54.08 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.81 111.22 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -46.03 62.2 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 2.54 110.353 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.104 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.843 0.354 . . . . 1.94 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.86 -44.01 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.106 0.479 . . . . 2.22 110.373 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -40.64 91.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.756 -0.657 . . . . 2.37 110.801 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' B' ' 7' ' ' GLU . 16.5 pt -68.03 -42.65 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.11 111.172 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 37.8 t70 -49.23 -34.92 16.08 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.364 0.602 . . . . 1.51 109.957 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -47.44 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.363 -0.835 . . . . 1.44 109.201 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.0 mt -60.46 -46.29 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.412 -0.813 . . . . 0.55 110.152 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.901 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.4 t0 -48.33 -32.45 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 1.32 110.955 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -29.45 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 1.19 110.326 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.1 mt-10 -84.36 -33.99 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 2.03 111.039 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.88 -33.58 64.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 1.06 110.738 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.23 -37.16 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.58 111.26 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -43.98 69.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 1.58 111.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' A' ' 20' ' ' LEU . 10.1 mt -69.59 -49.55 52.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.967 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.45 -38.94 60.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 1.98 111.247 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.92 94.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.62 111.213 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.567 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -67.02 -33.99 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.09 -44.6 62.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 2.28 111.288 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -55.76 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.75 111.266 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -41.38 28.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 2.89 110.488 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.4 mt -65.59 -38.52 89.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.914 -0.585 . . . . 1.38 110.024 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.4 t -62.52 -46.23 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.254 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -52.1 -32.12 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 2.33 109.702 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.87 -32.21 71.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.64 -0.709 . . . . 2.39 110.224 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 28.6 p-80 . . . . . 0 CA--C 1.529 0.144 0 CA-C-N 116.225 -0.443 . . . . 3.18 111.043 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.958 0.409 . . . . 2.15 110.821 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -78.95 -43.34 24.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.17 0.509 . . . . 2.21 110.284 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -37.82 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.665 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.54 HG23 ' CD2' ' B' ' 27' ' ' LEU . 18.3 pt -69.71 -43.16 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.95 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t70 -48.96 -34.97 14.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.399 0.619 . . . . 1.48 109.955 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.93 -47.66 71.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.37 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.2 mt -60.2 -46.04 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.549 -0.751 . . . . 0.48 110.23 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.937 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.7 t0 -48.38 -33.8 9.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 1.29 110.939 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.11 110.364 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.7 mm-40 -84.86 -34.05 22.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 2.07 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.51 -32.56 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.94 110.683 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.67 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.276 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -54.1 -44.2 71.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.982 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -68.87 -51.96 34.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.63 111.016 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -35.19 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.121 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.13 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.65 111.077 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.618 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -70.58 -35.74 73.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.071 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -69.89 -41.47 74.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 2.89 111.178 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -55.23 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.81 111.336 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 11.4 ptm180 -48.86 -41.56 33.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.01 0.433 . . . . 2.54 110.605 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.566 . . . . 1.35 110.059 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.892 0.377 . . . . 1.94 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -77.82 -41.52 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 2.22 110.259 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.68 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 2.37 110.783 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.62 -43.42 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.184 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.6 t0 -48.37 -34.53 10.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.398 0.618 . . . . 1.51 109.871 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.51 -48.22 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.831 . . . . 1.44 109.603 178.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 37.2 mt -60.57 -47.8 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.704 . . . . 0.55 110.374 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.932 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.31 -33.1 8.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 1.32 111.02 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.37 -28.46 59.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.349 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.84 -34.23 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 2.03 110.889 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.14 -33.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 1.06 110.689 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -37.41 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.635 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.82 -44.51 70.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 1.58 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -68.6 -50.66 49.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.63 111.01 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.14 -40.61 46.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 1.98 111.231 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.62 110.916 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.16 -35.33 80.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 1.43 111.033 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.92 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.7 -44.79 61.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 2.28 111.278 -179.685 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -56.73 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.75 111.349 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.638 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.79 -42.83 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.121 0.486 . . . . 2.89 110.487 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.638 HD12 ' HD2' ' B' ' 26' ' ' ARG . 0.3 OUTLIER -63.26 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 1.38 109.93 179.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 24' ' ' ARG . 47.3 t -60.55 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.79 110.198 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -33.79 43.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.623 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.83 -30.51 69.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.46 -0.791 . . . . 2.39 110.308 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 24.5 p-80 . . . . . 0 CA--C 1.528 0.131 0 CA-C-N 116.256 -0.429 . . . . 3.18 110.903 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.8 tt0 . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.96 0.409 . . . . 2.15 110.645 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -76.7 -41.56 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 2.21 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.796 -0.638 . . . . 2.42 110.778 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.3 pt -70.58 -43.32 77.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.95 111.161 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t70 -49.61 -34.6 18.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.425 0.631 . . . . 1.48 109.86 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 4.4 m-20 -67.04 -46.36 74.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.243 -0.889 . . . . 1.41 109.183 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.3 mt -60.03 -46.31 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.096 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.62 -33.76 10.44 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.248 -0.433 . . . . 1.29 111.024 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.66 -28.3 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.11 110.389 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.0 mt-10 -85.24 -34.36 21.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 2.07 111.05 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.02 -32.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.792 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -39.74 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.693 -0.685 . . . . 0.66 111.315 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.83 -42.75 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.79 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.94 -54.23 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.63 111.046 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -51.98 -33.49 38.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 1.99 111.264 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.74 63.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.65 111.226 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.71 -35.42 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.53 111.173 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -66.77 -44.55 81.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 2.89 111.303 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -57.4 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.81 111.175 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -39.5 25.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 2.54 110.418 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 12.9 mt . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.073 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.901 0.381 . . . . 1.94 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.34 -40.53 43.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 2.22 110.286 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -63.04 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 2.37 110.692 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 11' ' ' ASP . 21.7 pt -71.02 -43.64 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.277 -0.42 . . . . 1.11 111.208 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.438 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t0 -50.28 -34.25 22.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.324 0.583 . . . . 1.51 109.882 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.381 -0.827 . . . . 1.44 109.209 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.65 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.99 -45.58 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.162 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.3 t0 -48.74 -33.59 10.53 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.941 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -28.39 60.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 1.19 110.398 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.28 -33.33 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.964 -0.562 . . . . 2.03 111.068 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -64.65 -33.26 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.153 0.501 . . . . 1.06 110.719 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -38.04 34.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 0.58 111.2 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -43.67 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 1.58 111.048 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.53 -52.87 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.63 111.039 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -36.58 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 1.98 111.163 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -28.55 63.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.065 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.685 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.26 -34.94 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.43 111.129 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.7 -45.46 71.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.263 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -55.3 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.375 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.49 -45.01 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 2.89 110.379 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -61.17 -38.19 85.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 1.38 109.951 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.8 t -63.34 -44.83 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 116.205 -0.452 . . . . 0.79 110.104 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -52.15 -28.1 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.856 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.83 -30.67 56.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.727 -0.669 . . . . 2.39 110.502 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 31.4 p-80 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.853 0.359 . . . . 3.18 111.055 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.882 0.373 . . . . 2.15 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.53 -34.64 47.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 2.21 110.324 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.83 83.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.849 -0.614 . . . . 2.42 110.807 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.0 pt -70.55 -43.15 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.084 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.29 -34.73 10.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.39 0.614 . . . . 1.48 109.882 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -67.65 -48.18 67.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.328 -0.851 . . . . 1.41 109.485 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.668 HG22 HD11 ' A' ' 17' ' ' ILE . 35.5 mt -59.68 -47.56 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 0.48 110.342 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.954 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.46 -32.98 8.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.366 -0.379 . . . . 1.29 111.026 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.17 -28.3 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.406 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.8 mt-10 -85.19 -35.06 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.0 -33.42 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.94 110.652 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -36.79 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.247 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -44.29 73.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.997 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.32 -51.17 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.63 111.015 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -38.03 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.21 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.92 72.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.222 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -33.63 69.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 1.53 111.098 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HB2' HD11 ' B' ' 17' ' ' ILE . 4.9 ttt-85 -73.2 -43.91 60.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 2.89 111.158 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.43 65.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 0.81 111.249 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -50.53 -45.86 56.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 2.54 110.457 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.8 mm? . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.966 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.479 ' HA ' HD11 ' B' ' 10' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.851 0.357 . . . . 1.94 110.735 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.38 -42.32 54.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.486 . . . . 2.22 110.189 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -61.78 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 2.37 110.756 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.479 HD11 ' HA ' ' B' ' 7' ' ' GLU . 13.0 pt -68.35 -42.57 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 1.11 111.156 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.41 -35.81 8.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.417 0.627 . . . . 1.51 109.839 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 3.5 m-20 -66.79 -47.32 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 1.44 109.388 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 mt -60.42 -47.33 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.709 . . . . 0.55 110.331 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.14 -32.77 7.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 1.32 111.043 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -28.91 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.19 110.398 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.1 mt-10 -84.88 -33.46 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.582 . . . . 2.03 110.926 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -64.86 -33.36 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 1.06 110.78 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -36.65 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.58 111.218 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.04 -44.0 70.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.97 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -69.51 -50.99 39.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.63 110.915 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -52.17 -30.95 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.98 111.118 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.93 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.62 111.007 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.86 ' O ' HD23 ' B' ' 27' ' ' LEU . 13.9 mtpt -72.38 -32.68 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 1.43 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -70.52 -42.07 71.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 2.28 110.986 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -57.21 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.75 111.351 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.478 ' CD ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -48.59 -35.53 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.387 . . . . 2.89 110.64 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.86 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.5 mm? -70.0 -39.1 76.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 1.38 109.804 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.1 t -62.87 -45.69 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.79 110.193 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.9 -33.47 50.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.718 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.282 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 56.3 p-80 . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 116.328 -0.396 . . . . 3.18 111.039 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 41.3 tt0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.886 0.374 . . . . 2.15 110.942 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.38 -39.49 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.028 0.442 . . . . 2.21 110.329 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -62.53 -37.88 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 2.42 110.808 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -70.85 -43.02 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.95 111.212 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t0 -50.61 -34.34 25.63 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.265 0.555 . . . . 1.48 109.918 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -45.9 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.324 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' B' ' 23' ' ' LYS . 35.3 mt -60.97 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.385 -0.825 . . . . 0.48 110.171 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 13.0 t0 -48.56 -33.56 9.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.972 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.85 -28.69 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.11 110.351 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -84.67 -34.42 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.933 -0.576 . . . . 2.07 110.924 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.38 -32.24 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.94 110.712 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -37.02 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.66 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.42 -43.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.969 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -70.03 -51.51 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.3 -33.28 28.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 1.99 111.191 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.08 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.65 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -74.54 -31.86 62.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.53 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.769 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -72.52 -44.67 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.118 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -56.62 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.81 111.28 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -47.98 -39.06 18.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.071 0.462 . . . . 2.54 110.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD12 HD12 ' B' ' 13' ' ' ILE . 13.6 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 1.35 109.758 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.899 0.381 . . . . 1.94 110.771 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -43.14 25.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 2.22 110.126 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -60.64 -36.03 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 2.37 110.79 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.3 pt -71.53 -43.56 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 1.11 111.152 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.64 -34.76 12.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.445 0.641 . . . . 1.51 109.781 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 7.3 m-20 -67.51 -47.37 70.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.281 -0.872 . . . . 1.44 109.46 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 27' ' ' LEU . 24.7 mt -60.03 -47.11 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.389 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.938 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -49.06 -33.07 10.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.294 -0.412 . . . . 1.32 111.004 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -74.67 -28.21 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.318 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.3 mt-10 -84.67 -34.88 22.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 2.03 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' B' ' 14' ' ' ASP . 12.5 mt -63.37 -32.58 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 1.06 110.815 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.35 -37.96 31.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.58 111.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.16 -43.69 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 1.58 111.037 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 20' ' ' LEU . 10.2 mt -69.35 -52.22 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.037 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -37.23 39.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.98 111.195 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -33.5 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.62 111.018 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -67.64 -36.19 80.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 1.43 111.016 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.38 -42.99 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.22 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -56.7 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.75 111.219 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 3.5 ptm180 -49.93 -37.05 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.06 0.457 . . . . 2.89 110.717 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.634 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.7 OUTLIER -69.43 -37.57 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 1.38 109.926 179.087 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.0 t -62.62 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.79 109.971 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -54.2 -30.98 51.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 2.33 109.504 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -72.83 -29.82 63.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.707 . . . . 2.39 110.458 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 42.2 p-80 . . . . . 0 CA--C 1.53 0.177 0 CA-C-N 116.356 -0.384 . . . . 3.18 111.06 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.739 0.304 . . . . 2.15 111.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -76.19 -36.68 58.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 2.21 110.725 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -57.71 -44.95 86.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.991 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' NH2' ' B' ' 24' ' ' ARG . 12.9 pt -67.92 -42.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 0.95 111.26 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -46.65 -35.62 6.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.47 0.652 . . . . 1.48 110.056 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.4 t70 -67.98 -47.77 67.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 1.41 109.492 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 17' ' ' ILE . 31.2 mt -60.36 -48.46 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 0.48 110.521 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.96 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.02 -33.23 7.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 1.29 111.176 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 1.11 110.388 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.77 -34.41 22.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.875 -0.602 . . . . 2.07 110.936 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.2 mt -63.89 -34.09 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.996 -0.547 . . . . 0.94 110.738 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.5 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.673 -0.694 . . . . 0.66 111.274 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.05 -48.17 73.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 1.79 110.837 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' B' ' 20' ' ' LEU . 7.9 mt -63.69 -53.45 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.883 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -47.97 -30.1 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 1.99 111.102 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.77 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.65 110.999 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB2' HD13 ' B' ' 13' ' ' ILE . 55.1 mmtt -68.41 -31.8 71.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 1.53 110.967 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.583 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -72.74 -43.33 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 2.89 111.213 -179.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -55.52 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.81 111.343 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -48.85 -43.59 38.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 2.54 110.598 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.763 -0.653 . . . . 1.35 110.078 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 1.94 110.692 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -79.74 -43.35 22.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 2.22 110.083 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -60.16 -34.84 74.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.662 -0.699 . . . . 2.37 110.765 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.7 pt -72.49 -43.5 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 1.11 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.14 -34.56 10.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.382 0.611 . . . . 1.51 109.852 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 42.4 m-20 -67.99 -49.27 62.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 1.44 109.651 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.743 HG22 HD11 ' B' ' 17' ' ' ILE . 40.0 mt -59.82 -48.18 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.772 -0.649 . . . . 0.55 110.43 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -32.77 8.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.338 -0.392 . . . . 1.32 111.088 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -75.19 -28.14 59.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.319 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -85.22 -35.61 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 2.03 110.903 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.0 mt -62.96 -32.95 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.778 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.49 -38.06 30.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.58 111.132 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -53.52 -42.9 67.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 1.58 110.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' A' ' 20' ' ' LEU . 12.2 mt -70.02 -50.27 43.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.9 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.89 -41.46 58.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.172 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -34.61 78.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.159 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' A' ' 13' ' ' ILE . 1.5 mtpm? -68.71 -35.57 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 1.43 111.113 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.901 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.03 -40.67 68.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 2.28 111.125 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.96 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.75 111.403 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.407 ' CZ ' ' CD2' ' B' ' 27' ' ' LEU . 1.3 ptm180 -50.43 -42.57 54.15 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.898 0.38 . . . . 2.89 110.613 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 3.4 mm? -63.82 -36.03 82.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 1.38 110.01 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.0 t -65.16 -45.38 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.79 110.4 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.09 -33.41 26.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.969 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.47 -32.11 67.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 2.39 110.359 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 50.0 p-80 . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.18 111.017 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.838 0.351 . . . . 2.15 111.041 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.21 -35.68 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 2.21 110.538 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.608 ' HE3' HD21 ' B' ' 27' ' ' LEU . 8.6 ttpt -57.93 -40.87 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 2.42 110.807 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.551 HG23 HD22 ' B' ' 27' ' ' LEU . 15.3 pt -69.61 -43.18 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.95 111.167 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -34.98 5.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.399 0.619 . . . . 1.48 109.998 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.9 -50.09 58.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.331 -0.849 . . . . 1.41 109.643 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -58.81 -47.75 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.48 110.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.64 -32.96 9.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.353 -0.385 . . . . 1.29 110.966 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.0 -28.09 60.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.11 110.361 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.4 mt-10 -85.77 -34.25 21.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.96 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -64.4 -32.35 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.635 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -37.0 28.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.66 111.149 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.79 -43.41 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' B' ' 20' ' ' LEU . 7.8 mt -70.66 -50.79 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.63 110.954 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -52.4 -32.18 37.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.109 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.93 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.65 111.002 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -71.37 -32.44 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 1.53 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.601 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.9 ttt-85 -72.03 -40.61 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 2.89 111.037 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -57.69 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.321 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.38 -37.94 18.13 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.044 0.449 . . . . 2.54 110.601 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 1.35 109.708 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.874 0.368 . . . . 1.94 110.757 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -40.04 24.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.164 0.507 . . . . 2.22 110.075 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -35.05 75.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 2.37 110.72 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.511 HG23 HD23 ' A' ' 27' ' ' LEU . 17.2 pt -71.79 -43.74 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 1.11 111.225 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.66 -35.02 12.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.447 0.641 . . . . 1.51 109.795 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.21 -46.57 73.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.315 -0.857 . . . . 1.44 109.49 178.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 34.2 mt -61.42 -47.46 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.582 -0.736 . . . . 0.55 110.298 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.11 -32.67 7.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.417 . . . . 1.32 111.106 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.22 -29.04 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.43 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.59 -32.97 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.893 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -65.23 -34.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.663 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.25 -36.06 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.309 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -47.83 72.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 1.58 110.787 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 20' ' ' LEU . 9.4 mt -63.73 -51.31 65.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.856 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -49.33 -30.38 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.98 111.126 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.82 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.62 111.015 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.493 ' HB2' HD13 ' A' ' 13' ' ' ILE . 6.0 mmtp -66.94 -31.52 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.43 111.011 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.88 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.72 -44.76 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.097 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -54.05 45.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.75 111.234 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.45 ' CD ' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -50.24 -43.67 53.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 2.89 110.512 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.608 HD21 ' HE3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.11 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 1.38 110.081 179.114 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.2 t -62.99 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.173 -0.467 . . . . 0.79 110.425 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.93 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.995 -0.548 . . . . 2.33 109.887 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -71.45 -29.86 65.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.584 -0.735 . . . . 2.39 110.403 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 52.8 p-80 . . . . . 0 CA--C 1.529 0.137 0 CA-C-N 116.291 -0.413 . . . . 3.18 111.004 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.33 . . . . 2.15 110.756 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -80.91 -40.83 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 2.21 110.139 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -36.01 79.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.767 -0.651 . . . . 2.42 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -70.59 -42.8 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.95 110.997 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -50.52 -34.33 24.91 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.339 0.59 . . . . 1.48 109.811 179.484 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -67.07 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.304 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.2 mt -61.11 -46.37 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.508 -0.769 . . . . 0.48 110.134 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.94 -32.57 9.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.888 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.58 -28.34 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 1.11 110.35 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.01 -34.2 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 2.07 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.49 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.94 110.727 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.94 33.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 0.66 111.17 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.93 -42.9 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.79 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' B' ' 20' ' ' LEU . 8.0 mt -70.92 -49.87 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.63 110.932 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG2' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -51.33 -38.27 52.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 1.99 111.217 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.88 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.65 111.08 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -68.38 -34.47 76.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 1.53 110.99 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.634 ' HB2' HD11 ' B' ' 17' ' ' ILE . 1.6 ttt-85 -73.28 -43.32 61.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 2.89 111.194 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -55.44 23.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.218 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -43.29 39.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 2.54 110.42 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 11.7 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.744 -0.662 . . . . 1.35 110.019 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' HD11 ' B' ' 10' ' ' ILE . 3.8 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 1.94 110.769 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -42.67 32.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.469 . . . . 2.22 110.243 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -39.48 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.714 -0.675 . . . . 2.37 110.667 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' B' ' 11' ' ' ASP . 16.2 pt -69.32 -42.84 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.11 111.065 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.5 t70 -48.86 -34.83 13.34 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.451 0.643 . . . . 1.51 109.875 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 51.5 m-20 -67.02 -46.43 74.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.431 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' B' ' 17' ' ' ILE . 33.1 mt -61.17 -47.04 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.346 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.3 -32.98 8.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 1.32 110.995 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.01 -28.79 57.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 1.19 110.446 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -84.32 -33.38 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 2.03 110.817 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.75 -34.07 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 1.06 110.671 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.69 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.311 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -45.37 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 1.58 110.97 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' A' ' 20' ' ' LEU . 9.6 mt -67.38 -50.85 58.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.63 110.938 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -50.52 -36.41 34.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.98 111.157 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.45 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.62 110.863 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -68.77 -35.58 77.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 1.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -69.4 -43.14 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 2.28 111.141 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -56.16 18.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.307 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 7.0 ptp180 -49.64 -40.12 38.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.032 0.444 . . . . 2.89 110.516 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.476 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 1.0 OUTLIER -65.6 -38.76 90.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.006 -0.543 . . . . 1.38 109.798 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.5 t -62.48 -45.64 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.065 -0.516 . . . . 0.79 110.128 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -30.02 22.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 2.33 109.702 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -31.59 63.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.505 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 34.5 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-N 116.326 -0.397 . . . . 3.18 110.974 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 2.15 111.099 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.92 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 2.21 110.573 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -59.34 -41.09 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 2.42 110.97 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -69.24 -43.45 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.95 111.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 m-20 -47.99 -34.69 9.7 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.307 0.575 . . . . 1.48 109.978 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.1 t70 -67.41 -48.48 67.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 1.41 109.52 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 17' ' ' ILE . 35.4 mt -60.15 -48.51 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.62 -0.718 . . . . 0.48 110.365 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.0 -32.05 6.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.295 -0.411 . . . . 1.29 111.16 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -29.01 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.391 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.3 mt-10 -84.43 -35.49 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 2.07 110.916 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -63.52 -34.02 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 0.94 110.711 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.23 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.67 -0.695 . . . . 0.66 111.348 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.02 -50.09 69.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 1.79 110.688 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -61.55 -50.87 70.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.63 110.876 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.85 8.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 1.99 110.928 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -32.13 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.695 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.821 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.4 mmtp -66.0 -35.98 82.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 1.53 110.776 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.702 ' HG3' HD11 ' B' ' 17' ' ' ILE . 1.5 mtp180 -73.13 -46.19 52.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 2.89 111.31 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -53.0 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.81 111.217 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.7 ptp180 -52.39 -44.58 65.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 2.54 110.514 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.375 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.731 0.301 . . . . 1.94 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.21 -39.44 54.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.092 0.472 . . . . 2.22 110.375 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -61.51 -38.0 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.836 -0.62 . . . . 2.37 110.887 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.426 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.0 pt -71.64 -43.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.11 111.227 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.426 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.56 -34.25 17.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.336 0.589 . . . . 1.51 109.914 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -48.74 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 1.44 109.527 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 20.4 mt -59.63 -47.84 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.548 -0.751 . . . . 0.55 110.407 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.6 -32.19 7.77 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.32 110.977 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -28.77 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 1.19 110.313 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.3 mt-10 -85.08 -36.07 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 2.03 111.077 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -62.87 -33.11 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 1.06 110.765 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 -36.79 32.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.58 111.213 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.92 -44.74 70.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.817 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -68.71 -49.92 54.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.63 110.764 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -50.73 -34.01 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 1.98 111.034 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.48 -35.11 70.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.62 110.861 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.542 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.9 mtpt -68.03 -35.33 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.43 110.983 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.886 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -70.2 -42.76 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 2.28 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -53.09 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.212 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -50.19 -43.8 52.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.06 0.457 . . . . 2.89 110.606 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.4 mm? -63.17 -35.55 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 1.38 110.103 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -65.51 -44.31 94.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.79 110.227 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -30.98 33.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.927 -0.579 . . . . 2.33 109.853 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -74.13 -30.68 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.672 -0.694 . . . . 2.39 110.303 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.439 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 54.7 p-80 . . . . . 0 C--O 1.232 0.167 0 CA-C-N 116.235 -0.439 . . . . 3.18 111.039 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.904 0.383 . . . . 2.15 110.788 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.32 -39.46 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 2.21 110.202 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -61.83 -36.59 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.635 -0.711 . . . . 2.42 110.734 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.6 pt -71.04 -43.5 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.95 111.102 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.44 -34.14 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.367 0.603 . . . . 1.48 109.827 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.5 m-20 -67.62 -46.62 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.333 -0.849 . . . . 1.41 109.481 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -61.56 -48.15 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.48 110.381 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.22 -32.22 6.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.421 . . . . 1.29 111.011 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -29.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 1.11 110.396 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.7 mm-40 -84.57 -33.59 23.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 2.07 110.966 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.83 -34.44 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.65 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.03 -36.55 40.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.755 -0.657 . . . . 0.66 111.27 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -45.2 71.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.86 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -67.41 -50.56 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.63 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -52.57 -30.96 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 1.99 111.141 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -33.4 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.65 111.055 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.47 -32.21 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.53 111.076 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.713 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.7 -45.14 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 2.89 111.039 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -54.54 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.115 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.7 ptm180 -50.92 -43.17 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 2.54 110.464 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.7 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 1.35 110.019 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.731 0.3 . . . . 1.94 111.063 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.06 -35.42 42.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 2.22 110.404 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -38.12 87.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 2.37 110.757 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.3 pt -70.96 -43.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.11 111.14 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' B' ' 10' ' ' ILE . 26.5 t0 -49.97 -34.46 20.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.356 0.598 . . . . 1.51 109.922 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.03 -47.58 70.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.421 -0.809 . . . . 1.44 109.311 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.709 HG22 HD11 ' B' ' 17' ' ' ILE . 18.4 mt -60.12 -46.73 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.411 -0.813 . . . . 0.55 110.216 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -48.57 -32.57 8.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.34 -0.391 . . . . 1.32 110.892 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -28.64 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 1.19 110.359 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.7 mt-10 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.921 -0.581 . . . . 2.03 111.02 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.57 -33.75 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 1.06 110.713 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.78 -36.82 36.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.25 -44.97 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.871 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' A' ' 20' ' ' LEU . 6.0 mt -67.74 -51.18 52.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.63 110.901 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -50.22 -31.76 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 1.98 111.154 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.92 -36.73 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.021 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -68.47 -31.14 70.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 1.43 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.864 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -73.15 -42.66 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 2.28 110.929 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -56.45 12.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.75 111.268 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -40.28 26.77 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.976 0.417 . . . . 2.89 110.468 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 13' ' ' ILE . 18.9 mt -64.69 -39.23 93.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 1.38 109.84 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -62.41 -45.23 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.79 110.171 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -52.32 -31.3 32.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 2.33 109.731 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 2.39 110.168 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 28.4 p-80 . . . . . 0 C--O 1.232 0.157 0 CA-C-N 116.306 -0.406 . . . . 3.18 111.001 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.993 0.425 . . . . 2.15 110.658 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.85 26.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 2.21 110.089 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -35.13 77.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.638 -0.71 . . . . 2.42 110.737 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 21.0 pt -71.55 -43.79 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.95 111.198 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 3.3 t0 -50.0 -34.8 22.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.39 0.614 . . . . 1.48 109.776 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.82 -46.39 75.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.302 -0.863 . . . . 1.41 109.497 178.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.3 mt -61.31 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.539 -0.755 . . . . 0.48 110.313 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.17 -32.51 7.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 1.29 111.027 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.99 -29.08 58.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.39 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -84.5 -34.05 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 2.07 110.935 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.18 -34.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.663 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.85 45.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.235 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.34 -47.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 1.79 110.862 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' B' ' 20' ' ' LEU . 7.6 mt -63.74 -53.11 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.63 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.92 -31.09 4.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.99 111.213 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.91 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.65 111.074 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 27' ' ' LEU . 7.3 mmtp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.53 111.068 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -71.15 -42.78 68.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 2.89 111.211 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -56.3 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.81 111.419 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.484 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.66 -37.13 27.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.922 0.391 . . . . 2.54 110.759 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.8 mp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 1.35 109.845 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.817 0.342 . . . . 1.94 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.45 -37.87 42.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 2.22 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.64 -37.92 83.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.758 -0.655 . . . . 2.37 110.787 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.4 pt -71.24 -43.38 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.11 111.209 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 24.3 t70 -48.18 -34.94 10.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.394 0.616 . . . . 1.51 109.843 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 5.6 t0 -68.3 -46.98 68.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.576 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.782 HG22 HD11 ' B' ' 17' ' ' ILE . 35.1 mt -60.69 -49.03 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.699 . . . . 0.55 110.394 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.9 t70 -48.7 -32.17 7.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.35 -0.387 . . . . 1.32 111.077 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -28.23 59.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 1.19 110.377 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.49 -36.4 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.914 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.2 mt -62.52 -32.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 1.06 110.803 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.66 -38.43 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.58 111.249 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.48 -43.47 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.345 -0.389 . . . . 1.58 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' A' ' 20' ' ' LEU . 11.8 mt -69.64 -51.39 35.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.63 110.962 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -52.67 -33.95 49.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 1.98 111.12 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -30.54 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.62 111.006 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 13' ' ' ILE . 21.5 mtpt -71.54 -33.64 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 1.43 111.149 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.85 -46.55 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.072 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -54.26 46.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.75 111.232 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.0 ptm180 -50.43 -44.87 55.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.074 0.464 . . . . 2.89 110.392 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.2 mp -61.48 -37.43 83.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.873 -0.603 . . . . 1.38 109.975 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -63.64 -45.44 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.2 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -28.03 15.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 2.33 109.927 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -31.86 58.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.47 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.448 ' CE1' ' HA ' ' B' ' 28' ' ' VAL . 21.1 p-80 . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.911 0.386 . . . . 3.18 111.108 179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 N--CA 1.459 0.014 0 CA-C-O 120.893 0.378 . . . . 2.15 110.767 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -77.1 -38.9 51.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 2.21 110.213 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HE2' HD21 ' B' ' 27' ' ' LEU . 11.8 ttpt -63.18 -37.31 86.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.665 . . . . 2.42 110.822 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.6 pt -71.73 -43.27 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.216 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.4 t70 -50.72 -33.93 24.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.406 0.622 . . . . 1.48 109.977 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.31 -47.34 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.357 -0.838 . . . . 1.41 109.249 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.664 HG22 HD11 ' A' ' 17' ' ' ILE . 20.8 mt -60.09 -45.87 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.411 -0.813 . . . . 0.48 110.226 178.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.923 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.271 -0.422 . . . . 1.29 111.002 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -28.29 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 1.11 110.407 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.2 mt-10 -85.27 -34.04 22.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 2.07 110.988 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.41 -32.25 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.132 0.492 . . . . 0.94 110.812 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.51 30.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 0.66 111.187 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.18 -43.46 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.98 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -68.68 -54.66 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.056 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.78 -34.49 27.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 1.99 111.211 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.36 61.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.65 111.024 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.4 mtpm? -73.17 -33.76 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.53 111.212 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.728 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -68.89 -44.91 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 2.89 111.177 -179.801 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -55.43 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.81 111.351 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -49.58 -43.05 45.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.019 0.437 . . . . 2.54 110.491 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD21 ' HD2' ' B' ' 9' ' ' LYS . 5.4 mp . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.35 110.096 179.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.938 0.399 . . . . 1.94 110.637 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -77.44 -39.61 46.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 2.22 110.07 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.606 ' HD2' HD21 ' A' ' 27' ' ' LEU . 3.6 ttmt -62.8 -38.81 92.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.676 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.45 HG23 HD23 ' A' ' 27' ' ' LEU . 19.7 pt -70.59 -43.21 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 1.11 111.092 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' B' ' 10' ' ' ILE . 32.8 t0 -49.27 -34.85 16.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.406 0.622 . . . . 1.51 109.822 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.29 -46.19 74.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.376 -0.829 . . . . 1.44 109.331 178.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.545 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.18 -45.04 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.55 110.202 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.2 t0 -49.28 -34.15 14.63 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.263 -0.426 . . . . 1.32 110.907 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -28.16 61.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.325 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.9 mt-10 -84.85 -34.36 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 2.03 111.039 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -64.24 -32.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 1.06 110.75 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.81 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.274 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.2 -43.57 70.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 1.58 110.993 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.42 -53.07 26.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.63 111.064 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.18 -35.58 36.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.98 111.348 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.17 64.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.078 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.749 ' O ' HD12 ' B' ' 27' ' ' LEU . 16.9 mtpt -71.62 -33.51 69.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.43 111.236 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.63 -43.55 68.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 2.28 111.271 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -57.6 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.75 111.164 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 2.1 ptp180 -49.08 -35.87 17.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.089 0.471 . . . . 2.89 110.621 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.749 HD12 ' O ' ' B' ' 23' ' ' LYS . 4.3 mt -70.54 -39.62 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 1.38 109.97 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' B' ' 24' ' ' ARG . 35.4 t -60.9 -45.71 97.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 0.79 110.145 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.23 -34.89 59.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.636 . . . . 2.33 109.516 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -65.53 -30.49 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 2.39 110.24 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 33.9 p-80 . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 116.301 -0.409 . . . . 3.18 110.971 179.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.886 0.374 . . . . 2.15 110.879 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -38.77 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 2.21 110.186 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HE3' HD11 ' B' ' 27' ' ' LEU . 5.9 ttmm -59.67 -39.11 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.756 -0.656 . . . . 2.42 110.914 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.02 -43.19 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.95 111.14 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -47.96 -34.86 9.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.281 0.562 . . . . 1.48 109.939 179.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.58 -49.57 62.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.644 178.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' A' ' 17' ' ' ILE . 36.8 mt -59.4 -47.77 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.755 -0.657 . . . . 0.48 110.456 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.51 -32.8 8.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.089 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.1 -28.52 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 1.11 110.405 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.1 mt-10 -85.08 -35.05 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 2.07 110.925 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.31 -33.0 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.94 110.682 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 -37.74 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.795 -0.639 . . . . 0.66 111.186 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -42.7 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 1.79 110.951 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' B' ' 20' ' ' LEU . 11.2 mt -70.68 -50.59 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.63 110.925 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -48.81 -43.59 38.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 1.99 111.264 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.94 93.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.868 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.801 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -60.35 -35.12 74.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.916 179.857 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -73.34 -43.83 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 2.89 111.163 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -56.67 14.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.247 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.613 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.22 -40.69 48.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.987 0.422 . . . . 2.54 110.488 -179.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 1.35 109.832 178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.844 0.354 . . . . 1.94 110.841 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.97 -39.18 35.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.082 0.468 . . . . 2.22 110.335 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -37.92 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.37 110.725 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -70.53 -42.79 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 1.11 111.211 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.9 -34.68 21.02 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.405 0.622 . . . . 1.51 109.892 179.58 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.64 -46.99 73.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.305 -0.861 . . . . 1.44 109.272 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.8 mt -60.4 -46.41 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.421 -0.809 . . . . 0.55 110.216 178.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 10.8 t0 -48.27 -33.14 8.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.298 -0.41 . . . . 1.32 110.996 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.16 -29.15 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 1.19 110.359 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.4 mt-10 -84.44 -34.27 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 2.03 111.062 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.36 -32.89 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 1.06 110.768 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.43 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.58 111.272 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.25 -45.14 72.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.58 110.926 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -67.91 -50.97 53.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.63 110.938 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.09 -32.31 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.091 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.61 66.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.981 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 27' ' ' LEU . 44.1 mttt -69.47 -35.67 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.43 111.059 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.93 -44.72 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 2.28 111.055 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -53.51 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.75 111.272 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.3 ptp180 -50.2 -42.31 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 2.89 110.624 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.473 HD11 ' HE3' ' A' ' 9' ' ' LYS . 3.4 mm? -65.53 -36.29 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.954 -0.567 . . . . 1.38 110.058 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.3 t -64.83 -44.46 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.113 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -52.03 -33.27 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 2.33 109.754 179.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -68.68 -34.13 75.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 2.39 110.129 178.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.42 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 44.7 p-80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.97 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.924 0.392 . . . . 2.15 110.812 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.77 -41.19 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 2.21 110.172 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.17 -34.29 76.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.713 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.7 pt -72.82 -43.44 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.95 111.269 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 t70 -50.39 -34.2 23.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.36 0.6 . . . . 1.48 109.863 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.3 -48.17 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.448 178.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 HD11 ' A' ' 17' ' ' ILE . 25.0 mt -59.63 -46.51 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.514 -0.766 . . . . 0.48 110.333 178.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t0 -48.28 -34.26 10.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.118 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.24 -28.7 61.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.11 110.397 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.2 mt-10 -85.07 -34.03 22.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.856 -0.611 . . . . 2.07 111.064 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.33 -32.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.069 0.461 . . . . 0.94 110.789 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -39.54 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.651 . . . . 0.66 111.363 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.75 -43.58 69.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.313 -0.403 . . . . 1.79 111.046 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' B' ' 20' ' ' LEU . 10.7 mt -68.96 -54.21 16.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.63 111.142 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -52.84 -32.89 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.99 111.362 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.6 -29.43 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.65 111.181 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.94 -35.68 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.53 111.23 -179.782 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.72 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -66.08 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 2.89 111.299 -179.665 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -56.84 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.81 110.983 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.2 ptm180 -49.07 -39.76 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 2.54 110.4 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 23' ' ' LYS . 4.4 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.79 -0.641 . . . . 1.35 110.229 179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.37 . . . . 1.94 110.786 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -77.19 -40.26 45.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.5 . . . . 2.22 110.274 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -63.41 -36.31 83.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.84 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.7 pt -72.11 -43.69 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.11 111.292 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.45 ' N ' HG13 ' B' ' 10' ' ' ILE . 6.7 m-20 -50.52 -34.35 24.97 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.417 0.627 . . . . 1.51 109.858 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.22 72.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.299 -0.864 . . . . 1.44 109.334 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 22.9 mt -60.25 -45.98 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.55 110.297 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.0 t0 -48.21 -34.12 9.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.275 -0.42 . . . . 1.32 110.966 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.65 -28.93 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 1.19 110.401 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -84.82 -33.13 22.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.856 -0.611 . . . . 2.03 111.02 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -65.15 -32.57 58.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 1.06 110.733 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -38.29 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.58 111.306 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -44.18 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.58 110.959 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 20' ' ' LEU . 11.5 mt -67.98 -53.72 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.63 111.208 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.82 -34.12 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 1.98 111.351 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.97 -29.3 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.62 111.18 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.22 -35.11 66.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.43 111.205 -179.797 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.23 -47.36 68.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.321 -179.678 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -54.53 44.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.75 111.274 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.23 -43.96 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 2.89 110.373 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -63.66 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.92 -0.582 . . . . 1.38 110.037 179.269 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -62.57 -46.39 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.79 110.306 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -51.92 -29.95 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 2.33 109.784 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -72.48 -31.56 65.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.637 -0.71 . . . . 2.39 110.337 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 23.1 p-80 . . . . . 0 CA--C 1.53 0.199 0 CA-C-N 116.341 -0.39 . . . . 3.18 110.979 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.9 tt0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.827 0.346 . . . . 2.15 110.762 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -76.23 -42.22 46.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 2.21 110.38 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -62.57 -40.87 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 2.42 110.796 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.0 pt -68.71 -42.63 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.134 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.4 t0 -50.31 -34.8 24.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.391 0.615 . . . . 1.48 109.873 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.64 -46.55 78.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.265 -0.88 . . . . 1.41 109.178 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 17' ' ' ILE . 29.9 mt -61.27 -45.59 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.259 -0.882 . . . . 0.48 110.156 178.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 12.6 t0 -47.51 -33.08 5.91 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.992 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -30.05 57.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.366 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.26 -31.38 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 2.07 111.097 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.1 mt -66.46 -35.14 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.94 110.65 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.44 52.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.66 111.437 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.92 -45.19 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.953 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 4.8 mt -66.53 -51.13 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.63 111.023 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -50.78 -34.21 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 1.99 111.094 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.18 74.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.65 110.958 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.02 -35.64 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.084 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.709 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -68.78 -44.16 74.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 2.89 111.319 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -55.48 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.81 111.377 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 2.3 ptt85 -49.57 -42.75 45.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.036 0.446 . . . . 2.54 110.565 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.933 -0.576 . . . . 1.35 110.089 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.2 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.931 0.396 . . . . 1.94 110.562 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -76.72 -40.81 47.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 2.22 110.106 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -61.87 -43.29 99.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.74 -0.664 . . . . 2.37 110.623 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 15.5 pt -67.01 -42.58 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.11 111.007 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.02 -34.88 14.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.34 0.59 . . . . 1.51 109.867 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.38 -46.75 75.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.389 -0.823 . . . . 1.44 109.231 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 26.2 mt -60.3 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.424 -0.807 . . . . 0.55 109.947 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -49.11 -32.38 9.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 1.32 110.909 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -75.57 -28.45 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.19 110.295 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.0 mt-10 -85.37 -33.8 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 2.03 111.044 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -65.12 -32.63 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.06 110.698 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.85 -36.63 31.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.58 111.187 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.74 -44.45 69.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.81 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.86 -50.13 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.63 110.899 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -55.33 -33.55 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.149 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.44 71.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.62 111.125 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.625 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.8 mtpt -70.67 -32.67 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.027 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.925 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.17 -45.75 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 2.28 111.132 -179.855 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -56.01 22.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.75 111.241 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -49.26 -43.0 42.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.89 110.288 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.8 mt -62.55 -39.32 93.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.795 -0.639 . . . . 1.38 109.921 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.0 t -63.85 -44.29 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.152 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -52.1 -28.41 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 2.33 109.978 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -77.35 -30.83 54.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.678 -0.692 . . . . 2.39 110.54 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 29.9 p-80 . . . . . 0 N--CA 1.462 0.158 0 CA-C-O 120.891 0.376 . . . . 3.18 111.068 179.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.857 0.36 . . . . 2.15 111.099 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -78.64 -38.53 39.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 2.21 110.369 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -40.07 89.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.78 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -68.44 -43.03 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.177 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.1 t0 -49.17 -34.53 14.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.344 0.592 . . . . 1.48 109.868 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -66.62 -47.54 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.407 -0.815 . . . . 1.41 109.283 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.829 HD13 ' HB3' ' B' ' 23' ' ' LYS . 26.0 mt -59.76 -46.12 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.48 110.093 178.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 t0 -49.13 -31.89 9.01 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.222 -0.444 . . . . 1.29 110.908 179.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 1.11 110.287 179.461 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 20' ' ' LEU . 16.9 mt-10 -85.04 -34.04 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.795 -0.639 . . . . 2.07 111.031 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -65.12 -32.54 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.94 110.719 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.01 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.573 . . . . 0.66 111.235 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -53.36 -44.21 68.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.79 110.866 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -69.97 -49.57 50.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.798 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.3 -34.96 62.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.99 111.025 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.88 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.65 111.014 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 mtpt -69.14 -32.97 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 1.53 110.952 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.07 -46.19 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 2.89 111.073 -179.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.83 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.81 111.041 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -49.32 -42.87 42.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 2.54 110.357 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 23' ' ' LYS . 2.5 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.69 -0.687 . . . . 1.35 110.115 179.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 1.3 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.033 0.444 . . . . 1.94 110.766 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -76.98 -42.17 40.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.982 -0.554 . . . . 2.22 110.336 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -38.54 89.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 2.37 110.825 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.9 pt -69.82 -43.24 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 1.11 111.195 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -50.13 -34.71 23.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.377 0.608 . . . . 1.51 109.871 179.594 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -46.66 76.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.322 -0.854 . . . . 1.44 109.239 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 26.0 mt -61.02 -46.05 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.168 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.928 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.06 -32.58 6.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.18 -0.464 . . . . 1.32 111.008 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.24 -29.43 57.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 1.19 110.352 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.7 mm-40 -84.53 -32.25 24.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 2.03 111.054 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.928 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.86 -34.61 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.06 110.674 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.08 -37.6 46.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.297 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.41 -43.64 68.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 1.58 110.996 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -68.55 -50.07 54.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.63 110.826 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.9 -41.53 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 1.98 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.85 98.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.62 110.71 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.829 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -58.33 -34.76 70.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 1.43 110.971 179.838 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -73.47 -45.6 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 2.28 111.185 -179.867 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -55.25 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.75 111.246 -179.533 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -43.17 55.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.426 . . . . 2.89 110.433 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 23' ' ' LYS . 0.5 OUTLIER -62.51 -37.65 86.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 1.38 109.807 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.3 t -63.77 -44.58 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.126 179.23 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -30.0 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 2.33 109.868 179.131 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -31.62 60.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.635 -0.711 . . . . 2.39 110.47 179.235 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 44.6 p-80 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 3.18 110.97 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.3 tp10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.811 0.339 . . . . 2.15 110.999 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -78.5 -44.43 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.152 0.501 . . . . 2.21 110.364 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -60.11 -39.84 87.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.787 179.77 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 7' ' ' GLU . 13.2 pt -68.99 -42.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.95 111.147 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.36 -36.04 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.424 0.631 . . . . 1.48 109.698 179.553 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 5.3 m-20 -66.81 -44.23 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.28 -0.873 . . . . 1.41 109.168 178.596 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.689 HG22 HD11 ' A' ' 17' ' ' ILE . 10.4 mt -61.63 -48.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.268 178.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.877 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.0 t0 -47.76 -31.55 4.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.268 -0.424 . . . . 1.29 111.123 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -76.91 -28.88 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.11 110.462 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' HD12 ' B' ' 20' ' ' LEU . 7.4 mm-40 -85.48 -35.58 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.027 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 14' ' ' ASP . 8.7 mt -63.8 -34.02 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.618 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -36.66 37.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 0.66 111.2 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -42.71 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.79 110.988 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -71.06 -50.32 35.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.63 110.876 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.33 -40.26 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 1.99 110.971 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.96 73.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.65 110.861 179.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -71.83 -33.11 68.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.53 110.8 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HB2' HD11 ' B' ' 17' ' ' ILE . 19.5 ttt180 -74.49 -43.18 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.018 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -53.94 51.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.81 110.825 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -50.16 -43.56 52.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 2.54 110.174 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.8 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 1.35 109.894 179.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.438 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.5 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.895 0.379 . . . . 1.94 110.735 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -76.49 -42.6 42.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.22 110.226 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.09 -40.72 96.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.702 -0.681 . . . . 2.37 110.798 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.1 pt -68.94 -42.84 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.364 -0.38 . . . . 1.11 111.146 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -48.99 -35.64 15.74 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.421 0.629 . . . . 1.51 109.732 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.7 m-20 -66.41 -43.86 84.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 1.44 109.192 178.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.67 HG22 HD11 ' B' ' 17' ' ' ILE . 13.1 mt -62.0 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.55 110.243 178.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.0 t0 -47.5 -31.73 4.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.182 -0.463 . . . . 1.32 111.079 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -29.94 55.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 1.19 110.509 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 13' ' ' ILE . 11.2 mm-40 -84.49 -33.73 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.906 -0.588 . . . . 2.03 111.107 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.32 -36.46 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 1.06 110.603 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.62 -36.56 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 0.58 111.319 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -43.71 69.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.58 110.884 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 20' ' ' LEU . 5.5 mt -68.55 -50.69 49.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.63 111.014 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -41.75 49.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 1.98 111.013 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.48 93.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.62 110.898 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -62.85 -34.58 77.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.959 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 14.6 ttt180 -75.85 -43.47 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.194 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -54.56 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 0.75 110.955 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.74 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 2.89 110.374 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -62.29 -37.0 83.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 1.38 109.966 178.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.5 t -63.2 -44.86 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.006 -0.543 . . . . 0.79 110.235 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -31.01 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 2.33 109.683 179.009 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.86 -31.91 66.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.606 -0.724 . . . . 2.39 110.29 179.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 25.3 p-80 . . . . . 0 CA--C 1.529 0.155 0 CA-C-N 116.27 -0.423 . . . . 3.18 111.038 179.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 2.15 111.065 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -78.05 -36.15 48.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 2.21 110.446 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -39.6 82.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.811 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.0 pt -70.07 -42.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.95 111.166 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.3 t70 -47.96 -34.68 9.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.411 0.624 . . . . 1.48 109.947 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.86 -48.88 64.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.492 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.739 HG22 HD11 ' A' ' 17' ' ' ILE . 38.6 mt -59.43 -47.41 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.48 110.313 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.74 -33.12 9.64 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.129 179.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -28.39 60.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.078 0.466 . . . . 1.11 110.351 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.0 mt-10 -85.35 -34.91 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.833 -0.621 . . . . 2.07 110.934 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.1 mt -63.76 -32.16 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.94 110.705 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.87 -38.08 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.66 111.243 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -43.43 69.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.318 -0.401 . . . . 1.79 111.0 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -69.59 -55.15 10.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.041 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -51.09 -33.28 25.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 1.99 111.211 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.081 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.83 -33.55 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 1.53 111.177 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.732 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -68.81 -45.37 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.371 . . . . 2.89 111.114 -179.828 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -56.34 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.114 -179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -49.13 -41.84 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.088 0.471 . . . . 2.54 110.359 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD12 HD12 ' B' ' 13' ' ' ILE . 15.3 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.803 -0.635 . . . . 1.35 110.109 179.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HA ' HD11 ' B' ' 10' ' ' ILE . 2.2 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.925 0.393 . . . . 1.94 110.693 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -77.22 -42.17 38.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 2.22 110.226 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -61.76 -38.54 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 2.37 110.746 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.417 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -70.19 -43.08 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 1.11 111.178 179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' B' ' 10' ' ' ILE . 8.1 t70 -49.74 -34.63 19.61 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 1.51 109.919 179.664 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.51 -46.15 73.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.842 . . . . 1.44 109.288 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.534 HG22 HD11 ' B' ' 17' ' ' ILE . 16.2 mt -60.69 -44.99 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.55 110.166 178.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.964 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -49.31 -34.31 15.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 1.32 110.936 179.485 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.19 -28.16 61.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 1.19 110.306 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.8 mm-40 -84.81 -34.19 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.94 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.964 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.03 -32.57 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.06 110.629 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -37.96 33.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.58 111.267 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.84 -44.33 73.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.58 111.081 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 20' ' ' LEU . 9.8 mt -68.06 -53.21 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.63 111.074 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -50.92 -30.34 14.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.212 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.8 -31.49 59.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.62 111.049 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.484 ' O ' HD23 ' B' ' 27' ' ' LEU . 28.1 mttm -72.87 -32.37 65.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 1.43 111.012 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.08 -40.67 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.191 -179.807 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -55.44 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.75 111.407 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 6.5 ptp85 -49.45 -41.69 40.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.971 0.415 . . . . 2.89 110.543 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.484 HD23 ' O ' ' B' ' 23' ' ' LYS . 1.6 mm? -63.44 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 1.38 109.788 179.038 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.39 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.79 110.124 179.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -29.51 22.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.884 -0.598 . . . . 2.33 109.98 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -75.84 -30.1 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.48 179.186 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.42 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 51.7 p-80 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 116.367 -0.379 . . . . 3.18 111.049 179.656 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.846 0.355 . . . . 2.15 111.0 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -78.36 -32.95 49.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 2.21 110.599 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -38.6 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.789 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.94 -43.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.95 111.19 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t0 -50.01 -34.48 21.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.376 0.608 . . . . 1.48 109.929 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.96 -46.71 73.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.231 178.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.665 HG22 HD11 ' A' ' 17' ' ' ILE . 24.0 mt -60.64 -47.15 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.487 -0.779 . . . . 0.48 110.219 178.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.32 -32.42 7.39 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.305 -0.407 . . . . 1.29 111.062 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.93 -28.94 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.397 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.7 mt-10 -84.66 -34.52 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 2.07 110.972 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -63.76 -34.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.715 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -36.63 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.659 . . . . 0.66 111.292 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.02 -46.92 75.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 1.79 110.881 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -64.89 -51.73 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.63 111.014 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -32.98 19.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 1.99 111.237 -179.731 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -30.76 63.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.65 110.995 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.9 mttp -70.37 -31.18 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 1.53 111.105 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.727 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -73.1 -48.09 38.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 2.89 111.212 -179.784 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -54.66 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.81 111.266 -179.606 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -44.79 51.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 2.54 110.412 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 1.35 110.064 179.268 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.898 0.38 . . . . 1.94 110.743 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -78.32 -41.05 34.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 2.22 110.312 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.56 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.769 -0.651 . . . . 2.37 110.745 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.4 pt -69.55 -42.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.11 110.96 179.747 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.3 t0 -50.05 -34.34 21.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.393 0.616 . . . . 1.51 109.813 179.55 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.66 -46.28 76.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.168 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 29.7 mt -60.37 -45.89 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.333 -0.849 . . . . 0.55 110.122 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.89 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -48.84 -32.77 9.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 1.32 110.87 179.452 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -28.39 59.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 1.19 110.368 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.3 mt-10 -85.44 -34.47 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 2.03 110.992 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -64.12 -33.35 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 1.06 110.655 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -36.6 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.654 . . . . 0.58 111.08 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.36 -44.19 71.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.805 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' A' ' 20' ' ' LEU . 6.7 mt -68.89 -50.71 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.63 110.851 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.24 -32.11 35.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 1.98 111.031 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -31.16 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.62 110.875 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.5 mttm -70.04 -31.87 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 1.43 111.019 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.15 -45.39 60.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.369 . . . . 2.28 111.001 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -54.08 48.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.75 111.284 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -50.71 -44.73 58.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.079 0.466 . . . . 2.89 110.447 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.437 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 3.0 mm? -62.05 -36.25 81.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.869 -0.605 . . . . 1.38 110.068 179.155 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -64.46 -45.62 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 116.16 -0.473 . . . . 0.79 110.291 179.261 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -29.87 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.987 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.39 -30.49 60.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.664 -0.698 . . . . 2.39 110.482 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' B' ' 31' ' ' HIS . 54.5 p-80 . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 3.18 111.085 179.613 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 2.15 110.706 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -78.36 -40.64 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 2.21 110.244 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -63.05 -36.48 83.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.762 -0.654 . . . . 2.42 110.76 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.3 pt -71.6 -42.96 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.95 111.12 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.2 t70 -51.11 -33.85 28.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 1.48 109.97 179.547 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.05 -46.9 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.332 -0.849 . . . . 1.41 109.3 178.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.68 HG22 HD11 ' A' ' 17' ' ' ILE . 26.3 mt -60.63 -45.94 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.48 110.167 178.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.45 -33.51 9.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.211 -0.45 . . . . 1.29 111.023 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.24 -28.85 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 1.11 110.333 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.4 mm-40 -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 2.07 111.057 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -66.06 -32.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.771 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 -37.71 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.66 111.281 -179.69 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.98 -44.88 71.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 1.79 110.879 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.21 -52.02 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.63 111.025 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG3' HG21 ' B' ' 17' ' ' ILE . 7.7 tt0 -52.64 -33.59 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.291 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.13 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.65 111.13 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -69.19 -34.87 75.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.154 -179.871 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.736 ' HG3' HD11 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -69.75 -46.06 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 2.89 111.267 -179.65 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -55.34 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.81 111.253 -179.605 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -50.23 -43.68 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 2.54 110.459 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 HG23 ' B' ' 10' ' ' ILE . 5.2 mp . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 1.35 110.114 179.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.411 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.92 0.39 . . . . 1.94 110.704 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -76.01 -41.32 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 2.22 110.319 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -38.1 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.767 -0.651 . . . . 2.37 110.844 179.721 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.492 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.8 pt -71.08 -43.64 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 1.11 111.162 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.1 t0 -49.01 -35.0 14.34 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.388 0.613 . . . . 1.51 110.012 179.744 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.79 -48.57 68.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.406 -0.815 . . . . 1.44 109.463 178.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.662 HG22 HD11 ' B' ' 17' ' ' ILE . 29.4 mt -59.98 -44.59 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.471 -0.786 . . . . 0.55 110.17 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.3 t0 -48.6 -34.22 11.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.239 -0.437 . . . . 1.32 110.946 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.55 -28.8 61.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 1.19 110.305 179.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.4 mm-40 -84.95 -32.8 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 2.03 111.07 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.95 -31.97 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 1.06 110.725 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.23 -38.09 31.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 0.58 111.227 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.61 -44.12 69.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.58 111.013 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -69.44 -52.39 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.63 110.959 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.2 -32.09 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.98 111.262 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.31 63.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.62 111.13 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -72.53 -32.62 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.43 111.299 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.919 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.47 -47.17 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.353 -179.724 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -56.1 25.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.75 111.159 -179.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -49.59 -41.44 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.07 0.462 . . . . 2.89 110.276 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 13' ' ' ILE . 27.8 mt -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.079 179.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.919 HG23 ' O ' ' B' ' 24' ' ' ARG . 21.5 t -64.57 -46.64 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 121.018 0.437 . . . . 0.79 110.393 179.313 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -50.67 -30.71 14.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 2.33 110.045 179.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.12 -33.47 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.753 -0.658 . . . . 2.39 110.466 179.282 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 30.5 p-80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.984 0.421 . . . . 3.18 111.128 179.519 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.808 0.337 . . . . 2.15 111.156 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -76.92 -36.12 56.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.09 0.471 . . . . 2.21 110.297 179.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD3' HD21 ' B' ' 27' ' ' LEU . 28.5 tttm -59.43 -42.06 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.652 . . . . 2.42 110.76 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -68.3 -43.01 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.95 111.222 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -48.15 -34.95 10.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.422 0.63 . . . . 1.48 109.962 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -46.85 71.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.855 . . . . 1.41 109.424 178.719 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' A' ' 17' ' ' ILE . 17.9 mt -59.99 -48.23 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.349 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.73 -31.97 7.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.004 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.6 -28.59 58.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 1.11 110.282 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.31 -34.99 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 2.07 111.03 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.4 mt -64.29 -33.13 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.94 110.786 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -37.69 34.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 0.66 111.236 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -44.22 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 1.79 110.825 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' B' ' 20' ' ' LEU . 7.7 mt -68.7 -50.13 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.63 110.914 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.52 -34.83 38.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 1.99 111.18 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.003 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HD13 ' B' ' 13' ' ' ILE . 11.9 mtpp -66.05 -31.61 72.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 1.53 111.002 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -74.49 -46.01 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 2.89 111.12 -179.798 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -55.59 31.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.119 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.47 -42.67 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.091 0.472 . . . . 2.54 110.403 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 16.9 mt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.112 179.139 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 1.94 111.052 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.08 -34.87 59.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 2.22 110.399 179.731 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.55 91.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.919 -0.582 . . . . 2.37 110.811 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.8 pt -71.84 -43.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 1.11 111.238 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.5 m-20 -50.55 -34.06 24.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.341 0.591 . . . . 1.51 109.895 179.725 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.09 -47.77 70.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.326 178.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' B' ' 17' ' ' ILE . 20.6 mt -60.27 -46.92 94.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.419 -0.809 . . . . 0.55 110.293 178.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.0 t0 -48.18 -32.65 7.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.343 -0.389 . . . . 1.32 111.083 179.598 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -29.06 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.19 110.394 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.65 -34.84 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 2.03 111.041 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.65 -34.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 1.06 110.698 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.56 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.36 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.8 -48.86 72.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 1.58 110.79 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -62.7 -51.77 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.63 110.979 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.81 -30.24 9.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.465 . . . . 1.98 111.089 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.22 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.62 110.834 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 13' ' ' ILE . 19.9 mmtt -66.96 -34.13 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 1.43 111.116 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.245 -179.711 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -54.27 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.362 . . . . 0.75 111.229 -179.622 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.0 ptt85 -51.3 -44.42 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 2.89 110.513 -179.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.504 HD21 ' HD3' ' A' ' 9' ' ' LYS . 2.1 mp -62.54 -35.87 80.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 1.38 110.079 179.148 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -64.28 -45.38 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.187 179.443 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.17 -30.51 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 2.33 109.978 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.27 -29.73 60.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.734 -0.666 . . . . 2.39 110.493 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 53.7 p-80 . . . . . 0 CA--C 1.529 0.156 0 CA-C-N 116.339 -0.391 . . . . 3.18 111.043 179.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.888 0.375 . . . . 2.15 110.698 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.42 -38.48 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 2.21 110.206 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -37.19 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.663 . . . . 2.42 110.672 179.798 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' ASP . 17.6 pt -70.42 -43.48 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.078 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.9 t0 -50.08 -34.39 21.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.382 0.61 . . . . 1.48 109.809 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.54 -46.79 74.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.344 -0.844 . . . . 1.41 109.368 178.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 mt -61.33 -46.29 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.125 178.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -48.39 -32.21 7.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.941 179.535 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -29.24 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.315 179.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.1 mm-40 -84.92 -32.14 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.576 . . . . 2.07 111.044 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -66.14 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.106 0.479 . . . . 0.94 110.673 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.01 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.711 . . . . 0.66 111.186 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -44.0 70.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 1.79 110.837 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.83 -50.62 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.63 110.83 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -34.73 34.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.022 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.52 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.902 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -66.97 -35.74 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 1.53 111.039 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -67.06 -46.71 73.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 2.89 111.101 -179.899 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -54.42 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.287 -179.616 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.7 ptm85 -50.53 -44.8 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.042 0.449 . . . . 2.54 110.375 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.925 -0.58 . . . . 1.35 109.941 178.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 2.5 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.866 0.365 . . . . 1.94 110.636 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -40.44 29.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 2.22 110.175 179.464 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.75 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.734 179.725 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.3 pt -70.99 -43.58 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 1.11 111.07 179.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.421 ' N ' HG13 ' B' ' 10' ' ' ILE . 77.7 m-20 -50.52 -34.57 25.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.398 0.618 . . . . 1.51 109.805 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.23 -45.8 79.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.261 -0.881 . . . . 1.44 109.163 178.691 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.673 HG22 HD11 ' B' ' 17' ' ' ILE . 35.5 mt -61.13 -46.32 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.401 -0.818 . . . . 0.55 110.099 178.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.4 t0 -48.32 -32.24 7.14 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.32 110.955 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.67 -28.74 56.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.488 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -84.74 -32.32 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 2.03 110.92 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -65.81 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 1.06 110.626 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.78 47.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.632 -0.713 . . . . 0.58 111.454 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.86 -45.18 70.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 1.58 110.882 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 4.5 mt -66.67 -51.27 58.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.869 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -35.41 25.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 1.98 111.157 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.55 74.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.62 110.993 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.559 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.8 mtpp -65.5 -33.13 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.006 -0.543 . . . . 1.43 111.043 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.5 mtp-105 -71.39 -44.7 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 2.28 111.185 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -55.48 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.75 111.052 -179.723 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -49.52 -42.09 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 2.89 110.336 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.425 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 12.0 mt -64.51 -39.25 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.922 -0.581 . . . . 1.38 109.976 179.118 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.0 t -61.69 -42.48 94.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.79 110.226 179.311 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -35.0 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.877 -0.601 . . . . 2.33 109.655 179.168 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -67.9 -31.43 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.671 -0.695 . . . . 2.39 110.298 179.04 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.445 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 26.5 p-80 . . . . . 0 C--N 1.333 -0.123 0 CA-C-N 116.304 -0.407 . . . . 3.18 111.058 179.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 2.15 111.03 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -78.07 -36.34 48.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 2.21 110.69 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -40.16 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.772 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 27' ' ' LEU . 17.5 pt -69.9 -42.84 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.301 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -50.06 -34.03 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.307 0.575 . . . . 1.48 110.039 179.768 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -47.22 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.276 178.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' B' ' 23' ' ' LYS . 29.1 mt -60.54 -46.8 94.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 0.48 110.238 178.899 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.54 -33.04 8.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.338 -0.392 . . . . 1.29 111.006 179.588 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.7 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 1.11 110.341 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.13 -35.04 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.605 . . . . 2.07 111.058 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -63.91 -32.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.94 110.802 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.84 -37.85 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.66 111.182 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.77 -43.35 69.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 1.79 110.893 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 11.7 mt -70.34 -53.32 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.899 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.54 40.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.228 -179.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.77 64.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.65 111.096 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -74.24 -32.38 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.12 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.595 ' HB2' HD11 ' B' ' 17' ' ' ILE . 3.1 ttt-85 -72.5 -41.29 66.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.135 -179.725 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -55.74 16.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.392 . . . . 0.81 111.38 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -48.87 -42.83 37.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.076 0.465 . . . . 2.54 110.415 -179.818 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 HG23 ' B' ' 10' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.816 -0.629 . . . . 1.35 109.868 178.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.88 0.371 . . . . 1.94 110.796 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.9 -43.85 24.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.204 0.526 . . . . 2.22 110.27 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -35.08 74.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.828 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.437 HG23 HD23 ' A' ' 27' ' ' LEU . 20.6 pt -71.85 -43.79 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.418 -0.356 . . . . 1.11 111.135 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.9 t70 -48.86 -34.69 13.06 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.308 0.575 . . . . 1.51 109.738 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.02 -48.24 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 1.44 109.529 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' B' ' 17' ' ' ILE . 35.0 mt -60.16 -47.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 0.55 110.362 179.129 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.11 -33.4 8.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.934 0.397 . . . . 1.32 111.113 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.31 -29.05 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 1.19 110.38 179.643 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.4 mt-10 -84.5 -33.67 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 2.03 110.98 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.78 -32.92 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.758 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.12 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.401 -179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -45.69 72.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.58 110.969 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -66.52 -52.07 49.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.973 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -34.53 19.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 1.98 111.171 -179.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.09 71.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 0.62 110.996 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -67.0 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.43 111.121 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.922 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -74.81 -48.07 27.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.206 -179.761 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -53.33 59.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.75 111.28 -179.574 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.73 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 2.89 110.457 -179.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 10' ' ' ILE . 8.9 mt -62.53 -34.95 77.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 1.38 110.165 179.243 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.922 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.1 t -65.43 -45.77 92.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.79 110.298 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -51.14 -31.29 19.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.875 -0.602 . . . . 2.33 109.958 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.432 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 48.5 p-80 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.069 179.773 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 2.15 110.907 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -78.34 -42.0 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 2.21 110.413 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -61.37 -37.12 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 2.42 110.887 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.68 -43.42 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.95 111.16 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 27.5 t0 -50.12 -34.49 22.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.937 179.682 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.59 -47.72 71.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.409 -0.814 . . . . 1.41 109.335 178.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 17' ' ' ILE . 22.2 mt -60.63 -46.84 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.4 -0.818 . . . . 0.48 110.253 178.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.902 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.18 -32.28 6.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.307 -0.406 . . . . 1.29 111.074 179.559 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -29.27 58.01 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.152 -0.476 . . . . 1.11 110.429 179.541 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.41 -34.07 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.077 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -64.66 -34.58 70.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.797 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.45 -37.52 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.399 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 1.79 110.815 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -66.53 -50.68 62.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.63 111.001 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.92 -36.11 26.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 1.99 111.179 -179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.49 79.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.936 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.795 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -63.43 -34.76 78.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 1.53 111.008 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.711 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -71.67 -46.63 58.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 2.89 111.206 -179.649 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -55.54 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.315 -179.521 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.794 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.19 -44.43 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 2.54 110.425 -179.774 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.794 HD12 ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 1.35 109.957 179.085 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 10' ' ' ILE . 11.5 tt0 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.905 0.383 . . . . 1.94 110.849 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -79.0 -43.24 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 2.22 110.246 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -37.08 79.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.681 -0.69 . . . . 2.37 110.791 179.701 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.481 HG23 HD22 ' A' ' 27' ' ' LEU . 18.0 pt -69.88 -43.41 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.294 -0.412 . . . . 1.11 111.183 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.9 t70 -48.87 -35.07 13.91 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.394 0.616 . . . . 1.51 109.791 179.59 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.48 -47.93 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.366 -0.834 . . . . 1.44 109.437 178.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.4 mt -60.1 -46.5 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.55 110.306 178.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.59 -32.2 7.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.261 -0.427 . . . . 1.32 110.944 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.73 -28.86 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 1.19 110.358 179.437 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.3 mt-10 -85.08 -34.09 22.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 2.03 111.08 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -64.81 -33.87 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 1.06 110.678 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -36.06 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.781 -0.645 . . . . 0.58 111.198 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.21 -46.1 72.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 1.58 110.756 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.04 -49.76 64.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.726 179.755 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.71 -34.25 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.011 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.58 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.62 110.997 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.549 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.2 mttp -65.83 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.43 110.901 179.881 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.916 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -71.27 -44.72 64.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 2.28 111.057 -179.893 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.81 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.022 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.8 ptp180 -49.93 -42.63 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 2.89 110.239 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 23' ' ' LYS . 7.5 mt -63.44 -38.81 92.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.827 -0.624 . . . . 1.38 109.976 179.081 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.916 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -63.33 -45.54 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.79 110.159 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -51.83 -28.99 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 2.33 109.892 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.76 61.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.68 . . . . 2.39 110.399 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 31.8 p-80 . . . . . 0 CA--C 1.529 0.163 0 CA-C-N 116.286 -0.416 . . . . 3.18 111.002 179.596 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.849 0.357 . . . . 2.15 111.085 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -80.56 -39.18 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 2.21 110.231 179.512 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.98 -35.53 77.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 2.42 110.709 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.589 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 25.8 pt -70.89 -44.18 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.95 111.223 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -49.84 -33.8 17.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.418 0.627 . . . . 1.48 109.868 179.541 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.24 -44.97 74.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.858 . . . . 1.41 109.481 178.828 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 17' ' ' ILE . 21.5 mt -61.96 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.414 179.086 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 10.0 t70 -48.03 -32.27 6.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.381 -0.372 . . . . 1.29 111.107 179.663 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.44 -28.39 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.11 110.253 179.474 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm-40 -85.19 -36.71 20.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 2.07 110.937 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.9 mt -60.79 -34.96 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.194 0.521 . . . . 0.94 110.528 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.4 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.66 111.217 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.44 73.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.79 110.808 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' B' ' 20' ' ' LEU . 8.4 mt -67.11 -50.9 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.63 110.863 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -50.53 -31.25 15.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 1.99 110.969 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.67 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.786 179.743 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -68.96 -35.75 77.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 1.53 110.856 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.618 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -69.12 -43.17 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 2.89 110.976 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -54.55 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.81 111.31 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -49.13 -43.91 42.02 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.011 0.434 . . . . 2.54 110.473 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.7 mp . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.624 . . . . 1.35 109.896 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.404 ' O ' HG13 ' B' ' 10' ' ' ILE . 5.1 tt0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.907 0.384 . . . . 1.94 110.688 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -79.06 -43.39 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 2.22 110.125 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.32 -36.36 77.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.715 . . . . 2.37 110.808 179.682 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 pt -70.9 -43.61 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.359 -0.382 . . . . 1.11 111.068 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.35 -34.7 11.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.313 0.578 . . . . 1.51 109.817 179.574 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 3.0 m-20 -67.7 -47.35 69.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.274 -0.875 . . . . 1.44 109.619 178.816 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 17' ' ' ILE . 32.6 mt -60.83 -48.07 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.55 110.343 179.124 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.61 -32.33 8.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 1.32 110.962 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -28.7 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 1.19 110.324 179.567 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.0 mm-40 -84.25 -34.49 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.826 -0.624 . . . . 2.03 110.836 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 13.7 mt -63.23 -35.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.619 179.765 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.76 -34.93 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.635 -0.712 . . . . 0.58 111.159 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -44.61 73.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.58 110.936 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' A' ' 20' ' ' LEU . 8.2 mt -68.2 -50.73 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.852 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.3 16.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 1.98 111.163 -179.869 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.7 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.62 111.001 179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.931 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.8 tpt85 -64.8 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 2.28 111.125 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -59.11 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.75 111.451 -179.721 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 1.2 ptm180 -47.57 -33.54 6.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.924 0.392 . . . . 2.89 110.563 -179.754 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' ILE . 10.1 mt -70.04 -40.99 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 1.38 109.773 178.843 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.6 t -60.83 -50.69 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.882 -0.599 . . . . 0.79 110.266 179.081 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.5 -30.01 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 2.33 109.877 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -70.04 -29.97 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.308 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.417 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 56.3 p-80 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 3.18 110.993 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.843 0.354 . . . . 2.15 111.062 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -35.77 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.987 0.422 . . . . 2.21 110.518 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.15 -41.05 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 2.42 110.816 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' B' ' 27' ' ' LEU . 17.7 pt -70.35 -42.76 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.19 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -34.37 12.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.394 0.616 . . . . 1.48 110.027 179.549 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 79.7 m-20 -67.81 -47.96 67.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.852 . . . . 1.41 109.444 178.776 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 18.6 mt -59.24 -48.14 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.537 -0.756 . . . . 0.48 110.346 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.88 -32.42 8.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.283 -0.417 . . . . 1.29 111.016 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.83 -28.33 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 1.11 110.35 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.7 mt-10 -85.52 -36.18 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.592 . . . . 2.07 111.056 -179.853 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.903 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.2 mt -63.11 -32.29 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.94 110.795 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.2 -38.32 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.66 111.237 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -43.55 68.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 1.79 110.923 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.42 -51.3 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.63 110.911 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -36.32 43.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.102 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.33 -31.73 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.868 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.58 -35.26 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 1.53 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -69.26 -45.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 2.89 111.184 -179.828 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -56.61 14.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.238 -179.677 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.561 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.39 -43.48 44.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.116 0.484 . . . . 2.54 110.336 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' CD ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 1.35 110.021 179.075 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.861 0.362 . . . . 1.94 110.757 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -80.85 -41.61 22.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 2.22 110.169 179.427 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -34.81 76.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.692 179.656 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.471 HG23 HD23 ' A' ' 27' ' ' LEU . 18.6 pt -71.02 -43.84 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 1.11 111.2 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 10.3 m-20 -49.89 -35.04 22.08 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.372 0.606 . . . . 1.51 109.697 179.476 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -45.69 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.203 -0.908 . . . . 1.44 109.129 178.679 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 23' ' ' LYS . 27.0 mt -61.31 -46.47 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 0.55 110.141 178.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.909 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.0 -32.49 6.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.0 179.588 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -29.5 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.19 110.37 179.582 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.9 mt-10 -84.11 -33.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 2.03 111.033 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.909 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.28 -34.82 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 1.06 110.79 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.12 48.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.644 -0.707 . . . . 0.58 111.256 -179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -48.69 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 1.58 110.781 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -62.6 -51.75 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.63 110.918 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -48.81 -30.74 6.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.029 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.83 -33.09 63.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.62 110.777 179.624 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.522 ' CB ' HD13 ' A' ' 13' ' ' ILE . 15.2 mmtp -66.42 -33.58 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.517 . . . . 1.43 111.005 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.929 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.2 mtp180 -73.13 -46.67 49.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 2.28 111.236 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -52.41 65.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.249 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -51.8 -46.35 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 2.89 110.457 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 10' ' ' ILE . 6.4 mp -63.08 -35.69 81.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 1.38 110.188 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.1 t -62.6 -46.56 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.961 0.41 . . . . 0.79 110.234 179.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -51.95 -31.58 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.85 179.14 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -30.11 64.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.485 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 35.9 p-80 . . . . . 0 CA--C 1.529 0.158 0 CA-C-N 116.317 -0.401 . . . . 3.18 111.125 179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.906 0.384 . . . . 2.15 111.19 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.1 -31.72 56.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 2.21 110.594 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -40.41 93.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.555 . . . . 2.42 110.797 179.833 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 17.4 pt -70.16 -43.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.95 111.252 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.31 -34.44 15.6 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.412 0.625 . . . . 1.48 110.041 179.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -68.02 -46.03 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.329 -0.85 . . . . 1.41 109.387 178.853 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 12.8 mt -60.77 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.556 -0.747 . . . . 0.48 110.327 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.1 t0 -48.54 -32.13 7.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 1.29 110.992 179.615 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -28.46 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.11 110.358 179.619 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 7.4 mm-40 -85.54 -35.42 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 2.07 111.002 -179.714 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -63.28 -33.98 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.94 110.628 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.82 34.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.66 111.195 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -45.14 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 1.79 110.845 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 9.3 mt -67.16 -51.18 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.63 110.807 179.843 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -49.7 -34.8 19.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.99 111.067 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.09 64.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.65 110.836 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' B' ' 13' ' ' ILE . 6.3 mttm -68.61 -31.2 70.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 1.53 111.007 179.904 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.722 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -72.63 -41.96 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 2.89 111.107 -179.83 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -56.6 11.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.453 -179.593 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.419 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.12 -40.63 33.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.926 0.393 . . . . 2.54 110.467 -179.698 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD22 HG23 ' B' ' 10' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 1.35 109.681 178.703 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.859 0.361 . . . . 1.94 111.025 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.29 -37.37 37.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 2.22 110.3 179.435 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -62.46 -37.52 86.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.635 . . . . 2.37 110.647 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 27' ' ' LEU . 17.3 pt -70.94 -43.35 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.11 111.113 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -34.69 19.69 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.45 0.643 . . . . 1.51 109.804 179.51 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.83 -45.71 77.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.271 -0.877 . . . . 1.44 109.198 178.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 21.9 mt -60.71 -47.45 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.478 -0.783 . . . . 0.55 110.2 178.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.5 t0 -48.57 -31.72 6.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.246 -0.434 . . . . 1.32 110.986 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -28.86 56.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.19 110.346 179.562 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.7 mt-10 -84.77 -34.19 22.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 2.03 111.017 -179.844 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.41 -35.3 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 1.06 110.703 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.58 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.58 111.234 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.8 -48.41 72.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.58 110.728 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 8.9 mt -62.95 -51.44 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.63 110.844 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.67 -31.46 6.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 1.98 110.959 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.99 64.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.62 110.791 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' B' ' 27' ' ' LEU . 32.4 mmtt -66.61 -32.69 74.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 1.43 111.12 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.1 mtp180 -72.33 -46.88 53.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 2.28 111.21 -179.857 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.75 111.115 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -51.94 -44.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 2.89 110.551 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -63.52 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.38 110.299 179.297 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.7 t -65.11 -46.6 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.207 179.282 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -30.21 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 2.33 109.933 179.101 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.53 -30.58 63.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.354 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 55.9 p-80 . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.22 -0.446 . . . . 3.18 111.002 179.729 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 . . . . . 0 N--CA 1.458 -0.034 0 CA-C-O 120.793 0.33 . . . . 2.15 111.015 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -77.37 -40.34 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.488 . . . . 2.21 110.175 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -61.05 -39.81 91.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.644 . . . . 2.42 110.706 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.522 HG23 HD23 ' B' ' 27' ' ' LEU . 16.4 pt -69.8 -42.96 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.245 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -48.48 -35.61 13.38 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.424 0.63 . . . . 1.48 109.774 179.612 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 10.4 t0 -67.23 -45.15 77.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.196 -0.911 . . . . 1.41 109.301 178.653 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.638 HG22 HD11 ' A' ' 17' ' ' ILE . 11.1 mt -60.62 -47.68 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.433 -0.803 . . . . 0.48 110.318 178.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.889 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.4 t0 -47.73 -34.03 7.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.264 -0.425 . . . . 1.29 111.155 179.729 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -74.74 -28.74 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 1.11 110.439 179.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.0 mt-10 -85.86 -34.46 21.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.614 . . . . 2.07 111.146 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -64.05 -31.87 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.94 110.659 179.88 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.41 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.66 111.304 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.5 -43.36 68.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 1.79 111.005 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.58 -52.43 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.63 111.068 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -52.07 -33.84 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 1.99 111.225 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.27 -32.4 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.131 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.2 mtpp -70.95 -32.41 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.53 111.113 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -70.34 -47.09 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 2.89 111.19 -179.837 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -54.66 43.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.81 111.089 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.6 ptp180 -50.37 -43.74 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 2.54 110.32 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 HD12 ' B' ' 13' ' ' ILE . 22.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.837 -0.62 . . . . 1.35 110.057 179.069 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.903 0.382 . . . . 1.94 110.719 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -39.58 41.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 2.22 110.183 179.482 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.11 -37.76 88.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 2.37 110.643 179.592 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.443 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -71.32 -42.94 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.11 111.195 179.835 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.443 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -50.76 -34.1 25.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.378 0.608 . . . . 1.51 109.913 179.672 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.6 -46.43 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.321 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.698 HG22 HD11 ' B' ' 17' ' ' ILE . 20.7 mt -60.83 -46.9 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.469 -0.787 . . . . 0.55 110.214 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 12.5 t0 -48.44 -33.46 9.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 1.32 111.097 179.626 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -28.41 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 1.19 110.445 179.54 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -85.45 -34.01 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 2.03 111.04 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.07 -33.84 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.606 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.11 34.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.638 . . . . 0.58 111.219 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -39.74 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 1.58 111.214 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 20' ' ' LEU . 13.3 mt -72.12 -55.83 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.181 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -49.41 -47.36 48.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 1.98 111.195 -179.768 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.25 76.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.993 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -68.09 -35.18 77.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 1.43 110.974 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' B' ' 28' ' ' VAL . 15.9 ttt180 -74.98 -42.27 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 2.28 111.286 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -55.77 26.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.75 110.974 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.57 -42.31 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 2.89 110.341 179.942 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.522 HD23 HG23 ' A' ' 10' ' ' ILE . 3.4 mp -62.42 -37.75 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 1.38 109.878 178.842 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.1 t -64.3 -46.17 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.276 179.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -28.14 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 2.33 110.017 179.011 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -76.32 -31.3 58.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.673 -0.694 . . . . 2.39 110.489 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 37.9 p-80 . . . . . 0 CA--C 1.53 0.184 0 CA-C-N 116.344 -0.389 . . . . 3.18 111.017 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.832 0.348 . . . . 2.15 110.986 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.05 -37.44 46.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.006 0.431 . . . . 2.21 110.551 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -58.95 -41.01 86.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.892 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -68.14 -43.01 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.95 111.168 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.3 t0 -48.92 -34.54 13.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.433 0.635 . . . . 1.48 110.041 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.92 -48.59 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.381 -0.827 . . . . 1.41 109.412 178.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' B' ' 23' ' ' LYS . 22.9 mt -60.05 -46.72 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.48 110.157 178.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.5 -32.17 7.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.414 . . . . 1.29 110.95 179.656 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -29.3 59.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.358 179.535 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.0 mt-10 -85.0 -33.21 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 2.07 111.038 -179.9 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.3 mt -65.6 -33.32 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.075 0.464 . . . . 0.94 110.716 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.87 -36.95 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.772 -0.649 . . . . 0.66 111.222 -179.834 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.939 0.399 . . . . 1.79 110.797 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' B' ' 20' ' ' LEU . 6.7 mt -69.3 -49.03 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.68 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -52.23 -36.12 51.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.99 111.006 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.34 91.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.65 110.984 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -65.18 -32.7 74.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.53 110.907 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -72.13 -41.06 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 2.89 110.94 -179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -56.81 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.284 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -37.15 20.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.987 0.423 . . . . 2.54 110.512 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD12 ' B' ' 13' ' ' ILE . 13.7 mt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.35 109.682 178.718 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.73 0.3 . . . . 1.94 111.108 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.22 -38.83 50.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.089 0.471 . . . . 2.22 110.418 179.647 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.45 -41.53 89.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.808 -0.633 . . . . 2.37 110.758 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' B' ' 7' ' ' GLU . 16.9 pt -68.31 -43.25 84.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 1.11 111.138 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -47.82 -34.79 9.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.387 0.613 . . . . 1.51 110.063 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.78 -49.34 66.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.394 -0.821 . . . . 1.44 109.562 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.777 HG22 HD11 ' B' ' 17' ' ' ILE . 39.4 mt -59.69 -46.99 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.527 -0.76 . . . . 0.55 110.252 178.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.25 -32.35 7.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 1.32 111.06 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.03 -29.07 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 1.19 110.347 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.2 mt-10 -84.85 -33.34 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.976 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -65.73 -33.34 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 1.06 110.738 179.868 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.43 -36.67 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.648 . . . . 0.58 111.301 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -46.03 69.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.943 0.401 . . . . 1.58 110.744 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.38 -49.06 65.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.781 179.677 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -50.52 -36.08 32.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 1.98 110.975 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.0 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.764 179.704 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.777 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -63.08 -33.92 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.43 110.895 179.867 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.933 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.98 -45.87 55.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 2.28 110.939 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -52.46 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.75 111.209 -179.745 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.1 ptm180 -51.76 -44.65 63.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.014 0.435 . . . . 2.89 110.525 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.43 -35.15 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.935 -0.575 . . . . 1.38 110.125 179.298 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.7 t -64.67 -43.74 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.264 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -52.74 -33.88 50.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.742 179.102 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -30.53 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.621 -0.718 . . . . 2.39 110.324 179.18 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 51.9 p-80 . . . . . 0 C--N 1.333 -0.118 0 CA-C-N 116.257 -0.428 . . . . 3.18 110.939 179.6 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 CA--C 1.526 0.029 0 CA-C-O 120.889 0.376 . . . . 2.15 110.911 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.147 0.499 . . . . 2.21 110.004 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -61.16 -36.24 79.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.609 -0.723 . . . . 2.42 110.701 179.591 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.624 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 26.1 pt -68.98 -44.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.065 179.783 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.0 t70 -49.61 -34.03 16.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.422 0.629 . . . . 1.48 109.714 179.477 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 1.41 109.51 178.756 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.738 HD13 ' HB3' ' B' ' 23' ' ' LYS . 23.1 mt -60.22 -50.1 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 0.48 110.487 179.108 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.893 ' HA ' HD12 ' A' ' 17' ' ' ILE . 7.6 t0 -48.79 -31.56 7.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 1.29 111.1 179.71 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.36 -27.88 59.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.459 . . . . 1.11 110.269 179.47 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 11.9 mt-10 -85.29 -37.63 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 2.07 110.821 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.893 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.5 mt -60.72 -33.13 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.94 110.508 179.703 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.3 -36.68 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.674 -0.693 . . . . 0.66 111.355 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -46.15 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 1.79 110.862 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' B' ' 20' ' ' LEU . 8.5 mt -67.29 -51.09 57.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.883 179.751 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -33.67 24.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 1.99 111.05 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.88 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.65 110.83 179.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' B' ' 13' ' ' ILE . 5.4 mttm -69.07 -32.33 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 1.53 111.034 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.9 OUTLIER -71.73 -45.9 60.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 2.89 111.006 -179.845 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -53.86 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.307 -179.601 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -51.07 -46.33 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 2.54 110.398 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.91 179.094 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.948 0.404 . . . . 1.94 110.707 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -77.4 -39.69 46.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.265 179.477 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.728 179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 20.2 pt -71.42 -43.92 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.11 111.259 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.3 t70 -49.49 -34.93 18.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.432 0.634 . . . . 1.51 109.765 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.25 77.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.343 -0.844 . . . . 1.44 109.252 178.708 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.691 HG22 HD11 ' B' ' 17' ' ' ILE . 24.3 mt -60.99 -47.11 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.185 178.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.6 t0 -48.0 -31.91 5.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.299 -0.409 . . . . 1.32 111.006 179.645 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -76.48 -29.62 56.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 1.19 110.375 179.579 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.6 mt-10 -83.99 -33.74 24.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 2.03 111.024 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.47 -35.5 74.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 1.06 110.646 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.59 -35.64 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.724 -0.671 . . . . 0.58 111.206 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.52 -46.11 73.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.264 -0.425 . . . . 1.58 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -65.68 -50.98 62.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.63 110.834 179.872 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.64 -30.6 9.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 1.98 111.06 -179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.62 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.62 110.919 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.738 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.1 mptp? -64.64 -35.67 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.43 110.895 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 2.0 tpt85 -64.03 -49.31 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.989 -0.55 . . . . 2.28 111.191 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -56.17 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.417 -0.356 . . . . 0.75 111.359 -179.669 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 4.7 ptm85 -48.21 -41.25 26.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.076 0.465 . . . . 2.89 110.549 -179.813 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mm? -64.34 -39.3 93.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 1.38 109.914 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.7 t -62.46 -42.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.79 110.301 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.24 -34.26 56.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 2.33 109.912 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.5 -31.48 70.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.703 -0.681 . . . . 2.39 110.117 179.189 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.447 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 31.7 p-80 . . . . . 0 CA--C 1.529 0.141 0 CA-C-N 116.288 -0.414 . . . . 3.18 111.004 179.465 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.839 0.352 . . . . 2.15 110.813 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -40.59 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 2.21 110.373 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.71 -37.24 85.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.791 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.7 pt -70.95 -43.66 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.199 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 18.5 t70 -50.33 -34.38 23.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.352 0.596 . . . . 1.48 109.908 179.639 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.87 -46.36 75.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.336 -0.847 . . . . 1.41 109.29 178.831 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 38.0 mt -60.93 -47.0 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.231 178.89 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 17' ' ' ILE . 9.1 t0 -48.74 -31.82 7.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.914 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -28.71 57.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 1.11 110.319 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.4 mt-10 -84.93 -34.45 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.969 -0.559 . . . . 2.07 111.046 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -64.81 -33.13 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.716 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -37.04 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.776 -0.647 . . . . 0.66 111.216 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.75 -44.76 70.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.401 . . . . 1.79 110.864 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -68.31 -50.31 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.63 110.776 179.812 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.54 -30.58 31.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.035 -179.822 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.47 -33.06 62.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.65 110.818 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' HD13 ' B' ' 13' ' ' ILE . 73.9 mttt -68.57 -31.17 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 1.53 111.0 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.72 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -73.98 -46.88 41.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 2.89 111.072 -179.878 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -54.13 48.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.81 111.309 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.717 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.84 -45.17 59.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.232 -0.44 . . . . 2.54 110.407 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' A' ' 26' ' ' ARG . 1.9 mp . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 1.35 109.932 179.059 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.739 0.304 . . . . 1.94 111.133 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -77.0 -38.14 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.939 0.4 . . . . 2.22 110.493 179.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -60.07 -40.14 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 2.37 110.836 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -69.63 -43.04 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.11 111.288 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.07 -34.76 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.367 0.603 . . . . 1.51 109.951 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.828 . . . . 1.44 109.377 178.731 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' B' ' 17' ' ' ILE . 22.4 mt -60.42 -46.85 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.377 -0.829 . . . . 0.55 110.224 178.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.09 -32.95 7.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.354 -0.385 . . . . 1.32 111.035 179.583 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -29.16 59.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.304 179.621 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.59 -34.39 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.03 111.062 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.01 -34.18 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.122 0.487 . . . . 1.06 110.782 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.11 -36.75 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.679 . . . . 0.58 111.244 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -54.48 -46.17 73.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 1.58 110.857 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' A' ' 20' ' ' LEU . 8.4 mt -66.33 -50.94 61.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.909 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.24 -32.83 25.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 1.98 111.228 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.97 72.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.0 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.569 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.63 -34.4 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.43 111.122 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.77 -46.0 69.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 2.28 111.179 -179.822 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -54.65 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.75 111.267 -179.61 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 5.0 ptm180 -50.45 -42.22 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.095 0.474 . . . . 2.89 110.538 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 10.4 mt -64.98 -36.7 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.38 110.045 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.2 t -64.95 -42.28 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.79 110.105 179.077 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -33.26 44.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.83 -0.623 . . . . 2.33 109.739 179.07 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -32.82 69.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.665 -0.698 . . . . 2.39 110.305 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 20.7 p-80 . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.399 . . . . 3.18 111.003 179.459 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.347 . . . . 2.15 110.892 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -78.36 -34.79 48.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 2.21 110.516 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -60.48 -38.96 85.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 2.42 110.78 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.0 pt -70.77 -43.16 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.322 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.0 t70 -49.8 -34.03 18.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.371 0.605 . . . . 1.48 110.065 179.771 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.6 t70 -68.46 -47.2 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.384 -0.825 . . . . 1.41 109.414 178.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.736 HG22 HD11 ' A' ' 17' ' ' ILE . 18.8 mt -60.3 -48.68 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.548 -0.751 . . . . 0.48 110.466 179.12 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.8 t0 -48.54 -33.03 8.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.135 179.728 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -28.02 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.386 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HB2' HD13 ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.76 -37.96 18.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 2.07 111.021 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -61.12 -32.48 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.94 110.781 -179.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.62 -40.14 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.66 111.12 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -54.94 -44.45 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.79 110.924 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.3 mt -66.07 -52.67 46.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.63 111.092 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -38.55 28.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.99 111.351 -179.688 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.83 87.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.455 . . . . 0.65 110.92 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -58.61 -34.47 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 1.53 111.056 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.596 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.2 OUTLIER -73.35 -43.2 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 2.89 111.085 -179.795 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -56.38 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.81 111.282 -179.758 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.42 -41.44 39.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.105 0.479 . . . . 2.54 110.58 -179.788 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.35 109.981 179.078 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.771 0.32 . . . . 1.94 111.015 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -77.56 -41.11 40.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 2.22 110.267 179.558 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.65 -35.71 76.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 2.37 110.832 179.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.66 HG23 HD23 ' A' ' 27' ' ' LEU . 17.9 pt -73.46 -43.66 55.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.333 . . . . 1.11 111.359 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -47.99 -35.17 10.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.342 0.591 . . . . 1.51 109.884 179.64 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 23.4 t0 -68.15 -49.1 63.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.69 178.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.816 HG22 HD11 ' B' ' 17' ' ' ILE . 37.3 mt -59.4 -48.94 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 0.55 110.594 179.215 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.892 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -47.9 -33.93 8.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.328 -0.396 . . . . 1.32 111.131 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -28.27 61.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.362 179.723 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' HB2' HD13 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.95 -35.18 20.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.994 -179.71 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -63.66 -31.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 1.06 110.856 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.82 -44.73 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.58 111.351 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.38 -39.09 56.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 1.58 110.944 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.539 ' N ' HD23 ' B' ' 20' ' ' LEU . 2.3 mt -69.62 -55.05 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.091 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -32.18 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.98 111.268 -179.676 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.52 -33.46 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.103 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.674 ' O ' HD12 ' B' ' 27' ' ' LEU . 40.1 mttt -69.34 -31.03 69.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 1.43 111.141 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.914 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.99 -46.86 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 2.28 111.216 -179.855 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.75 111.185 -179.712 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -50.74 -43.56 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 2.89 110.536 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.674 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.5 mt -64.87 -35.61 81.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 1.38 110.23 179.35 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.914 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.2 t -65.68 -44.61 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.79 110.345 179.452 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -33.88 40.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.531 . . . . 2.33 109.891 179.15 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.45 -31.75 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.667 -0.697 . . . . 2.39 110.324 179.183 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 54.3 p-80 . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 116.24 -0.436 . . . . 3.18 111.007 179.542 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 2.15 110.961 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -75.15 -34.08 61.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 2.21 110.425 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -62.51 -41.11 98.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 2.42 110.761 179.802 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.9 pt -70.29 -42.93 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.95 111.253 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.81 -34.2 18.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.433 0.635 . . . . 1.48 109.979 179.67 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.2 m-20 -68.77 -44.58 73.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 1.41 109.425 178.845 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 17' ' ' ILE . 26.9 mt -61.15 -48.14 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.412 -0.813 . . . . 0.48 110.298 178.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.5 t0 -48.87 -33.93 11.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.356 -0.384 . . . . 1.29 111.097 179.678 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -26.96 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 1.11 110.467 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.3 mm-40 -86.94 -36.01 18.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.021 -179.764 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -62.1 -32.22 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.94 110.673 179.775 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.55 -39.87 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.639 -0.71 . . . . 0.66 111.073 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.45 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.798 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 20' ' ' LEU . 2.5 mt -75.3 -56.45 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.63 110.804 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CD ' HG21 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -52.65 -43.86 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 1.99 110.994 -179.843 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.05 70.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.845 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.87 -35.45 64.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 1.53 110.808 179.886 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.584 ' HB2' HD11 ' B' ' 17' ' ' ILE . 18.9 ttt180 -71.08 -41.17 71.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 2.89 111.176 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -56.09 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.81 111.06 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.6 ptp180 -49.78 -37.84 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 2.54 110.457 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 23' ' ' LYS . 4.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.509 . . . . 1.35 109.75 178.891 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.822 0.344 . . . . 1.94 110.816 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -77.74 -39.22 45.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.126 0.488 . . . . 2.22 110.206 179.471 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -60.82 -40.24 92.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.718 179.647 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.439 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.9 pt -69.41 -42.59 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 1.11 111.217 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' B' ' 10' ' ' ILE . 13.3 t70 -48.84 -35.25 14.15 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.554 0.692 . . . . 1.51 109.8 179.581 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -67.93 -43.82 78.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.175 -0.921 . . . . 1.44 109.266 178.634 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' B' ' 17' ' ' ILE . 12.3 mt -61.43 -48.81 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.464 -0.789 . . . . 0.55 110.335 179.053 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.1 t0 -47.65 -34.41 8.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.437 -0.347 . . . . 1.32 111.187 179.763 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -28.23 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.438 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 20' ' ' LEU . 4.6 mm-40 -85.71 -38.16 18.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 2.03 111.046 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -59.35 -33.26 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.625 179.896 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.03 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.278 -179.848 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.24 -41.87 69.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 1.58 111.083 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 9.3 mt -67.69 -53.44 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.63 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -33.7 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.98 111.312 -179.661 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.36 -29.75 62.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.62 111.062 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.47 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -71.99 -33.01 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 1.43 111.118 -179.864 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.897 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.19 -44.68 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.255 -179.793 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.75 111.312 -179.498 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.45 -40.85 38.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 2.89 110.579 -179.705 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.8 mt -65.98 -38.46 88.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.946 -0.57 . . . . 1.38 110.099 179.109 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.7 t -62.09 -47.23 94.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.429 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -32.49 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.836 179.169 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 2.39 110.36 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 49.0 p-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-N 116.259 -0.428 . . . . 3.18 110.989 179.699 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 2.15 110.801 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -81.6 -40.71 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 2.21 110.145 179.465 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -62.06 -33.9 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.686 . . . . 2.42 110.681 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.4 pt -72.02 -43.45 67.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.95 111.206 179.834 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -50.74 -34.51 27.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.384 0.611 . . . . 1.48 109.696 179.67 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -47.06 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.361 178.876 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.679 HG22 HD11 ' A' ' 17' ' ' ILE . 25.4 mt -60.86 -46.46 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.587 -0.733 . . . . 0.48 110.304 178.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.05 -33.11 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 1.29 111.034 179.662 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -29.02 58.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 1.11 110.434 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.3 mt-10 -84.23 -33.34 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 2.07 110.969 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.77 -34.65 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.94 110.682 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.36 -36.34 46.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.39 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.36 -48.81 73.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.802 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' B' ' 20' ' ' LEU . 6.6 mt -62.71 -52.19 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.63 111.011 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.63 -30.34 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.179 -179.785 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.65 110.975 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB2' HD13 ' B' ' 13' ' ' ILE . 17.7 mmtt -67.04 -33.47 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.175 -179.877 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.709 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.7 OUTLIER -71.63 -47.07 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 2.89 111.33 -179.742 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -53.12 61.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.81 111.285 -179.619 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -51.02 -44.36 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 2.54 110.667 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HG23 ' B' ' 10' ' ' ILE . 6.8 mp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 1.35 110.32 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.896 0.379 . . . . 1.94 110.798 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.98 -33.95 44.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 2.22 110.367 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -61.06 -38.69 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 2.37 110.781 179.753 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.497 HG23 HD23 ' A' ' 27' ' ' LEU . 16.3 pt -70.58 -43.09 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 1.11 111.102 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.42 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.11 -34.67 14.45 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.345 0.593 . . . . 1.51 109.965 179.568 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.47 -47.46 70.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.329 178.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.732 HG22 HD11 ' B' ' 17' ' ' ILE . 19.7 mt -59.84 -47.86 89.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 0.55 110.307 178.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 6.1 t0 -48.6 -32.14 7.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.272 -0.422 . . . . 1.32 110.974 179.647 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -28.71 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.19 110.337 179.493 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 14.6 mt-10 -85.4 -35.45 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 2.03 111.044 -179.825 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.3 mt -63.71 -32.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 1.06 110.838 179.895 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.81 28.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.58 111.156 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.64 -43.48 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 1.58 110.877 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' A' ' 20' ' ' LEU . 11.1 mt -70.1 -51.54 30.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.63 110.933 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -53.13 -34.16 55.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 1.98 111.109 -179.837 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.27 63.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.62 111.096 179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 7.0 mtpt -71.73 -33.78 69.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.43 111.062 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.98 -46.17 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.403 . . . . 2.28 111.139 -179.859 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -55.26 31.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.75 111.212 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -49.84 -44.01 49.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.102 0.477 . . . . 2.89 110.468 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 4.3 mp -62.37 -37.75 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 1.38 110.027 179.151 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.3 t -62.64 -47.42 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.79 110.287 179.262 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -50.83 -29.69 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.71 179.151 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -34.4 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.564 -0.744 . . . . 2.39 110.358 179.156 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' B' ' 28' ' ' VAL . 24.4 p-80 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 3.18 111.067 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.054 0.454 . . . . 2.15 110.463 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -40.64 39.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 2.21 110.095 179.264 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -39.52 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.806 -0.633 . . . . 2.42 110.696 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.6 pt -69.62 -43.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.159 179.877 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.4 -34.19 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.315 0.578 . . . . 1.48 109.944 179.659 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.42 -47.81 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.347 -0.842 . . . . 1.41 109.339 178.87 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 17' ' ' ILE . 22.6 mt -59.84 -47.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.48 110.146 178.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.68 -32.38 8.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 1.29 110.98 179.634 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -75.37 -28.8 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 1.11 110.314 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.8 mt-10 -84.99 -34.11 22.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.032 -179.874 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -64.83 -32.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.94 110.735 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.74 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.763 -0.653 . . . . 0.66 111.184 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.15 -45.72 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 1.79 110.765 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' B' ' 20' ' ' LEU . 6.0 mt -67.53 -50.27 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.63 110.783 179.754 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -33.37 33.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 1.99 111.116 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.25 72.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.65 110.919 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -66.14 -33.82 76.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 1.53 110.991 179.894 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.706 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -71.76 -44.73 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 2.89 111.116 -179.963 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -56.18 24.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.81 111.016 -179.767 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -40.91 55.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.159 0.504 . . . . 2.54 110.407 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HD12 ' B' ' 13' ' ' ILE . 25.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 1.35 109.907 178.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.815 0.341 . . . . 1.94 110.8 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -41.64 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 2.22 110.374 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.44 -36.58 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.69 -0.686 . . . . 2.37 110.755 179.804 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.43 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.5 pt -71.62 -43.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 1.11 111.226 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.43 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -50.4 -34.42 24.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.336 0.588 . . . . 1.51 109.906 179.655 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -47.95 71.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.41 -0.814 . . . . 1.44 109.481 178.816 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.717 HG22 HD11 ' B' ' 17' ' ' ILE . 22.8 mt -60.43 -46.87 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.55 110.282 178.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.8 t0 -48.33 -32.45 7.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.292 -0.413 . . . . 1.32 111.056 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -29.27 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.19 110.373 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.4 mt-10 -84.41 -33.86 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 2.03 111.027 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.86 -34.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.693 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.49 -37.63 42.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.366 -179.652 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -53.5 -44.5 69.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 1.58 110.998 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -67.85 -50.49 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.63 111.037 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -50.98 -36.33 38.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.278 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.41 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.62 110.947 179.856 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.604 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.2 mtpt -67.53 -33.91 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 1.43 111.129 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.16 -46.35 64.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.28 111.194 -179.8 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.47 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.224 -179.638 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -49.55 -43.11 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 2.89 110.477 -179.85 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.2 mm? -64.69 -38.28 90.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 1.38 110.169 179.258 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.3 t -62.13 -46.16 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.79 110.395 179.465 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.93 -33.06 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 2.33 109.943 179.274 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.13 -30.3 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.696 -0.684 . . . . 2.39 110.318 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 49.2 p-80 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.923 0.392 . . . . 3.18 110.975 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.897 0.379 . . . . 2.15 110.957 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -79.87 -36.54 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 2.21 110.339 179.602 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -61.7 -36.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.881 -0.6 . . . . 2.42 110.782 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -70.97 -43.13 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.076 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 5.4 t0 -50.27 -34.43 23.32 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.35 0.595 . . . . 1.48 109.789 179.54 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -46.24 76.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.313 -0.858 . . . . 1.41 109.271 178.694 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.642 HG22 HD11 ' A' ' 17' ' ' ILE . 26.4 mt -61.0 -46.31 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.485 -0.78 . . . . 0.48 110.129 178.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.38 -32.7 7.92 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.985 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.54 59.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 1.11 110.399 179.523 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.9 mt-10 -83.93 -33.83 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 2.07 110.883 -179.772 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.54 -34.17 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.94 110.737 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.34 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.775 -0.648 . . . . 0.66 111.284 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.78 -44.51 73.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 1.79 110.923 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 9.0 mt -67.88 -52.28 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.63 111.068 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.79 -30.87 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 1.99 111.095 -179.854 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.44 -31.63 60.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.65 110.909 179.875 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.85 -36.32 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 1.53 111.08 179.982 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.684 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -67.27 -43.68 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.02 -179.841 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -55.17 24.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.81 111.256 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -48.47 -41.99 31.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.991 0.424 . . . . 2.54 110.537 -179.859 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD11 ' HE2' ' B' ' 9' ' ' LYS . 3.3 mm? . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 1.35 110.015 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.413 ' O ' HG13 ' B' ' 10' ' ' ILE . 1.1 tt0 . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.989 0.423 . . . . 1.94 110.48 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -78.24 -42.98 29.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.927 -0.579 . . . . 2.22 109.954 179.318 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 27' ' ' LEU . 2.1 ttpp -58.36 -39.3 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.816 179.765 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.06 -42.88 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 1.11 110.985 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -47.99 -34.34 9.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.35 0.595 . . . . 1.51 109.888 179.529 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -68.04 -48.45 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.382 -0.826 . . . . 1.44 109.497 178.846 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' B' ' 17' ' ' ILE . 36.3 mt -59.61 -47.58 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.55 110.332 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.7 t0 -49.08 -32.87 10.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 1.32 111.021 179.574 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.82 -27.77 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 1.19 110.291 179.532 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mm-40 -85.61 -36.03 20.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.837 -0.619 . . . . 2.03 110.853 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -62.23 -33.07 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.06 110.652 179.86 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.15 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.58 111.118 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -54.34 -43.41 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.931 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -70.17 -50.9 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.63 110.942 179.885 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -50.56 -38.47 45.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.98 111.061 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.41 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.62 110.845 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -68.85 -33.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 1.43 110.958 179.954 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.93 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.11 -41.82 66.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 2.28 111.254 -179.82 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -56.76 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.75 111.518 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.92 35.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.033 0.444 . . . . 2.89 110.356 -179.733 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.639 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.2 OUTLIER -62.93 -39.37 94.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.899 -0.591 . . . . 1.38 109.782 178.88 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.5 t -63.28 -44.96 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.79 110.171 179.215 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -51.51 -29.05 15.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.826 -0.625 . . . . 2.33 110.012 179.186 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.35 -30.55 53.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.681 -0.691 . . . . 2.39 110.594 179.324 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 46.1 p-80 . . . . . 0 CA--C 1.529 0.172 0 CA-C-N 116.311 -0.404 . . . . 3.18 111.084 179.774 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.0 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.977 0.417 . . . . 2.15 110.745 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -77.45 -42.51 35.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.203 0.525 . . . . 2.21 110.136 179.452 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -40.39 91.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 2.42 110.634 179.691 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.8 pt -68.07 -41.37 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.95 111.08 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 72.9 m-20 -49.32 -35.37 18.11 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.505 0.669 . . . . 1.48 109.553 179.28 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 15.2 t70 -68.79 -39.71 80.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 1.41 109.017 178.446 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 17' ' ' ILE . 28.0 mt -62.16 -50.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 0.48 110.277 178.846 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.922 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -49.12 -32.2 9.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 1.29 111.074 179.739 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -27.73 60.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.5 . . . . 1.11 110.353 179.497 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 3.8 mm-40 -85.71 -36.48 20.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.951 -179.814 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -61.62 -33.81 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.602 179.76 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.48 -37.16 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.66 111.279 -179.833 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -44.3 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.79 110.938 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 8.8 mt -69.09 -50.33 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.63 110.982 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 1.99 111.167 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.14 71.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.65 110.782 179.766 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.92 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 1.53 110.951 179.946 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.756 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -73.63 -46.95 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 2.89 111.21 -179.713 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.38 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.108 -179.727 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.35 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 2.54 110.357 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 1.35 109.973 179.069 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.437 ' HG3' HD11 ' B' ' 10' ' ' ILE . 1.1 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.986 0.422 . . . . 1.94 110.662 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -40.18 55.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.945 -0.57 . . . . 2.22 110.236 179.396 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 2.37 110.744 179.788 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.527 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.3 pt -71.52 -43.57 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.155 179.909 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -49.54 -35.07 19.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.397 0.617 . . . . 1.51 109.815 179.504 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.56 -46.29 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.282 178.752 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 23' ' ' LYS . 32.9 mt -60.77 -44.51 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 0.55 110.109 178.809 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -48.61 -33.99 10.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.354 -0.385 . . . . 1.32 110.813 179.363 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.02 -28.44 60.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 1.19 110.437 179.607 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -85.01 -33.68 22.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 2.03 111.052 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.02 -34.24 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 1.06 110.615 179.808 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.5 39.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.58 111.063 179.913 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -54.26 -41.71 69.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.58 111.076 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 10.8 mt -71.2 -53.9 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.63 111.009 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.84 -34.3 40.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 1.98 111.234 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.66 -27.32 58.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.249 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.3 mtpp -80.65 -32.75 36.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 1.43 111.115 -179.927 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.874 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.3 OUTLIER -70.65 -34.55 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 2.28 111.145 -179.734 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -56.03 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.75 111.119 -179.853 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.509 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -48.17 -34.99 10.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.922 0.392 . . . . 2.89 110.468 -179.941 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' B' ' 26' ' ' ARG . 1.3 mp -68.99 -40.74 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 1.38 109.649 178.753 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.4 t -61.21 -46.94 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.79 110.182 179.076 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -31.06 35.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 2.33 109.73 178.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.39 -30.52 67.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.618 -0.719 . . . . 2.39 110.324 179.143 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' B' ' 28' ' ' VAL . 42.2 p-80 . . . . . 0 C--N 1.333 -0.131 0 CA-C-O 120.846 0.355 . . . . 3.18 111.026 179.538 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.141 0.496 . . . . 2.15 110.386 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -37.95 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.595 -0.729 . . . . 2.21 110.306 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -62.8 -30.57 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.711 -0.677 . . . . 2.42 110.942 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.685 HG23 HD23 ' B' ' 27' ' ' LEU . 22.4 pt -76.75 -46.19 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.866 -0.333 . . . . 0.95 111.41 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.3 t0 -49.23 -34.13 14.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.519 0.676 . . . . 1.48 109.961 179.622 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.08 -49.53 50.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.209 -0.905 . . . . 1.41 110.106 179.081 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.842 HG22 HD11 ' A' ' 17' ' ' ILE . 21.0 mt -59.15 -48.83 85.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.619 . . . . 0.48 110.569 179.329 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.94 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.1 t0 -47.87 -35.36 10.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 1.29 111.179 179.848 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.75 -27.61 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.11 110.516 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.2 mm-40 -86.39 -34.97 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 2.07 111.03 -179.801 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -62.87 -31.49 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.538 179.769 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.89 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.641 -0.708 . . . . 0.66 111.103 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -41.49 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 1.79 111.016 -179.872 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -71.26 -51.72 22.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.63 111.07 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.97 -35.9 26.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 1.99 111.155 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.884 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.754 ' O ' HD13 ' A' ' 27' ' ' LEU . 13.1 mttm -66.56 -34.83 78.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 1.53 110.952 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.5 OUTLIER -71.16 -41.01 70.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 2.89 110.985 -179.886 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.341 -179.572 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.17 26.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.047 0.451 . . . . 2.54 110.64 -179.665 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 178.868 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 1.94 110.67 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.74 -42.85 23.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 2.22 110.121 179.468 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.509 ' HE2' HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -60.46 -36.56 78.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.67 179.64 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -70.38 -43.13 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 1.11 111.041 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -48.97 -34.42 12.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.344 0.593 . . . . 1.51 109.724 179.52 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.1 m-20 -67.42 -47.04 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.267 -0.878 . . . . 1.44 109.539 178.777 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.699 HG22 HD11 ' B' ' 17' ' ' ILE . 37.5 mt -61.0 -47.37 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 0.55 110.279 179.036 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.77 -32.29 8.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 1.32 110.975 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -75.93 -28.66 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.391 179.589 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.37 -34.22 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.784 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.48 -33.63 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 1.06 110.704 179.913 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.97 -36.93 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.258 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -54.33 -46.1 72.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 1.58 110.854 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 20' ' ' LEU . 10.4 mt -66.28 -49.39 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.63 110.801 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -50.56 -42.03 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.1 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.073 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -59.56 -43.41 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 1.43 111.001 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.909 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -67.99 -40.76 83.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 2.28 110.892 -179.947 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -61.38 -54.37 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.75 111.24 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.466 ' HG3' HD13 ' B' ' 27' ' ' LEU . 3.6 ptm85 -49.94 -37.58 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 2.89 110.772 -179.761 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.685 HD23 HG23 ' A' ' 10' ' ' ILE . 9.1 mp -78.72 -31.92 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 1.38 110.495 179.239 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.909 HG23 ' O ' ' B' ' 24' ' ' ARG . 81.6 t -68.82 -56.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.917 0.389 . . . . 0.79 110.225 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -52.6 -35.74 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 2.33 109.745 179.207 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -72.62 -26.46 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.477 -0.783 . . . . 2.39 110.041 178.739 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.754 -0.657 . . . . 3.18 111.502 179.869 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 2.15 110.783 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -41.15 37.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 2.21 110.301 179.606 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -39.31 89.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.786 -0.643 . . . . 2.42 110.753 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.8 pt -68.67 -42.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.101 179.794 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.9 -34.47 20.4 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.374 0.607 . . . . 1.48 109.956 179.588 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -66.87 -46.64 74.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 1.41 109.328 178.828 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' A' ' 17' ' ' ILE . 22.9 mt -60.82 -46.01 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 0.48 110.143 178.842 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.94 -32.3 8.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.188 -0.46 . . . . 1.29 110.906 179.496 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -28.73 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.276 179.549 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.5 -33.76 23.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 2.07 110.947 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -65.18 -33.77 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.94 110.77 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -36.45 40.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.66 111.123 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -46.11 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 1.79 110.783 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.3 mt -65.94 -49.99 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.713 179.674 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.64 -42.25 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.025 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.22 82.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.65 111.134 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.0 mtpp -60.98 -40.43 93.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 1.53 110.904 179.894 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.552 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -69.99 -41.28 74.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 2.89 110.796 179.878 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -61.27 -53.26 59.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.81 111.237 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 2.7 ptm85 -50.01 -40.35 44.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 2.54 110.669 -179.807 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.729 HD23 HG23 ' B' ' 10' ' ' ILE . 8.6 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.453 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.038 0.447 . . . . 1.94 110.833 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.89 -39.98 25.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 2.22 110.485 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.05 71.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 2.37 110.86 179.937 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 27' ' ' LEU . 19.3 pt -75.16 -45.54 41.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.892 -0.323 . . . . 1.11 111.406 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.32 -34.51 10.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.504 0.668 . . . . 1.51 110.164 179.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.43 -52.25 34.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.285 -0.87 . . . . 1.44 110.077 179.172 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.792 HG22 HD11 ' B' ' 17' ' ' ILE . 52.2 mt -58.2 -47.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.832 -0.622 . . . . 0.55 110.497 179.397 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -47.11 -35.3 6.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 1.32 111.164 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -29.27 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 1.19 110.394 179.673 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -85.78 -34.57 21.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.623 . . . . 2.03 111.205 -179.649 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -63.26 -31.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.074 0.464 . . . . 1.06 110.571 179.905 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.32 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.725 -0.671 . . . . 0.58 111.342 -179.745 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.15 -43.8 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.36 . . . . 1.58 110.945 -179.874 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 9.7 mt -68.53 -52.68 29.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.63 111.024 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -50.39 -32.08 16.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.207 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.55 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.62 110.919 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.596 ' O ' HD12 ' B' ' 27' ' ' LEU . 55.3 mttt -68.21 -31.74 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.43 111.101 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.23 -43.38 64.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 2.28 111.003 -179.926 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.75 111.286 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 8.4 ptm180 -49.22 -42.49 40.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.121 0.486 . . . . 2.89 110.419 -179.777 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.6 mt -64.15 -38.65 91.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.075 179.17 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.6 t -62.59 -42.38 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.79 110.219 179.255 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -33.32 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 2.33 109.797 179.055 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.27 -30.98 68.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 2.39 110.245 179.129 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 37.4 p-80 . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 116.346 -0.388 . . . . 3.18 110.924 179.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.876 0.369 . . . . 2.15 111.176 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.27 -35.03 61.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 2.21 110.578 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.99 -41.29 87.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.42 110.839 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.4 pt -70.81 -42.59 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.265 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -34.72 8.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.441 0.639 . . . . 1.48 110.057 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.6 -50.28 52.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.68 178.997 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' B' ' 23' ' ' LYS . 37.0 mt -58.73 -48.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.48 110.575 179.186 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.3 -33.62 9.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.321 -0.4 . . . . 1.29 111.124 179.727 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.47 -28.42 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 1.11 110.322 179.665 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.9 mt-10 -85.46 -34.64 21.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 2.07 110.962 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -63.66 -31.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.94 110.683 179.85 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.61 -39.35 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.66 111.337 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.65 -43.54 68.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 1.79 111.066 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.55 -54.28 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.096 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -51.63 -34.47 37.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.244 -0.434 . . . . 1.99 111.206 -179.67 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.46 65.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.65 111.087 179.94 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -71.69 -36.06 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 1.53 111.139 -179.902 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.6 OUTLIER -68.49 -45.73 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 2.89 111.259 -179.746 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -55.48 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.81 111.197 -179.564 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.0 ptm180 -49.39 -42.58 42.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.131 0.491 . . . . 2.54 110.454 -179.9 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.753 -0.658 . . . . 1.35 110.141 179.155 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.04 0.448 . . . . 1.94 110.337 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -75.12 -47.9 26.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 2.22 110.454 179.394 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -57.63 -37.05 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.665 -0.698 . . . . 2.37 111.188 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.433 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.1 pt -71.12 -43.44 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 1.11 111.481 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.433 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.8 t0 -49.69 -34.66 19.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.386 0.612 . . . . 1.51 109.986 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -67.46 -48.07 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.594 179.02 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 23' ' ' LYS . 21.6 mt -59.99 -46.91 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.516 -0.765 . . . . 0.55 110.371 179.162 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -47.98 -34.3 9.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.378 . . . . 1.32 111.099 179.79 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -29.21 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.19 110.372 179.685 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -84.42 -33.8 23.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 2.03 111.118 -179.805 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.55 -32.41 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.478 . . . . 1.06 110.716 179.903 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.28 -39.14 33.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.58 111.306 -179.668 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -54.19 -44.26 71.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.38 -0.373 . . . . 1.58 111.167 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -67.79 -52.96 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.63 111.179 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.201 -179.718 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.52 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.62 111.085 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 13' ' ' ILE . 15.0 mtpt -69.47 -35.61 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.43 111.101 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.882 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -69.28 -44.55 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.142 -179.815 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -53.55 53.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.268 -179.746 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -50.32 -43.32 53.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.031 0.443 . . . . 2.89 110.607 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.458 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.4 mm? -64.5 -35.71 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 1.38 110.202 179.33 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.323 179.4 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -32.57 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 2.33 109.767 179.111 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.12 -30.06 66.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.307 179.118 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 46.8 p-80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.18 111.059 179.564 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.017 0.436 . . . . 2.15 110.424 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -80.96 -43.25 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.216 179.412 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' CD ' HD21 ' B' ' 27' ' ' LEU . 10.8 ttmm -59.25 -34.08 71.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.838 179.782 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.499 HG23 HD23 ' B' ' 27' ' ' LEU . 19.5 pt -72.68 -43.91 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.3 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.5 m-20 -48.84 -34.82 13.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.454 0.645 . . . . 1.48 109.941 179.66 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.6 t0 -67.94 -46.98 69.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.201 -0.909 . . . . 1.41 109.626 178.891 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.734 HG22 HD11 ' A' ' 17' ' ' ILE . 40.5 mt -61.21 -47.94 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.48 110.523 179.269 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.977 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.7 t0 -47.49 -35.0 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.87 0.367 . . . . 1.29 111.239 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -28.83 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.145 0.498 . . . . 1.11 110.525 179.656 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.6 -33.14 23.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.009 -179.799 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.8 mt -64.49 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.705 179.826 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.81 36.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.43 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -44.04 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 1.79 111.181 -179.844 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -67.61 -53.5 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.63 111.233 -179.853 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -50.7 -31.03 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.99 111.254 -179.663 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.52 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.65 111.241 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB3' HD13 ' B' ' 13' ' ' ILE . 20.4 mttm -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.53 111.2 -179.839 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HB2' HD11 ' B' ' 17' ' ' ILE . 0.3 OUTLIER -72.22 -43.67 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 2.89 111.208 -179.732 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -53.7 50.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.333 . . . . 0.81 111.382 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -49.74 -43.6 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.052 0.453 . . . . 2.54 110.563 -179.763 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 1.35 110.199 179.307 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.776 0.322 . . . . 1.94 110.915 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.93 -35.73 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.391 179.67 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.95 -41.95 97.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 2.37 110.738 179.772 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.3 pt -70.63 -42.89 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.11 111.21 179.932 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 17.8 t0 -47.94 -34.47 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.349 0.595 . . . . 1.51 109.983 179.72 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.4 OUTLIER -68.48 -50.1 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.385 -0.825 . . . . 1.44 109.718 178.901 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.763 HG22 HD11 ' B' ' 17' ' ' ILE . 36.0 mt -58.8 -48.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.415 179.148 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -33.5 10.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 1.32 111.157 179.815 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -28.07 60.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 1.19 110.361 179.531 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 19.2 mt-10 -85.7 -35.23 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 2.03 110.891 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.3 mt -63.0 -31.93 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.06 110.592 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 -38.13 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.58 111.031 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -54.06 -43.49 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.999 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -71.16 -52.84 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.01 179.92 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -52.59 -35.44 54.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.98 111.122 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.97 65.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.62 111.136 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.672 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -75.22 -35.25 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.43 111.079 -179.843 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.889 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -68.6 -44.04 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 2.28 111.21 -179.758 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -58.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.75 111.281 -179.649 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' NH1' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -47.53 -34.01 7.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 2.89 110.509 -179.903 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 23' ' ' LYS . 4.9 mp -70.76 -41.89 71.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.94 -0.573 . . . . 1.38 109.769 178.847 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -59.41 -49.14 84.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.546 . . . . 0.79 110.57 179.39 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -34.85 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 2.33 109.833 179.223 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.69 -29.64 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.39 110.432 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' B' ' 27' ' ' LEU . 54.0 p-80 . . . . . 0 CA--C 1.529 0.151 0 CA-C-N 116.287 -0.415 . . . . 3.18 110.952 179.667 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.6 tt0 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.927 0.394 . . . . 2.15 110.771 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -43.58 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 2.21 110.198 179.514 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -60.31 -40.83 91.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.65 -0.705 . . . . 2.42 110.76 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.5 pt -68.57 -42.77 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.95 111.046 179.913 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.6 t0 -47.98 -35.39 10.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.386 0.612 . . . . 1.48 109.88 179.516 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.29 -49.16 68.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.323 -0.853 . . . . 1.41 109.49 178.766 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 17' ' ' ILE . 39.3 mt -60.21 -47.27 92.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 0.48 110.36 179.108 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.6 t70 -48.06 -32.16 6.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 1.29 111.025 179.738 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -76.24 -29.29 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.382 179.595 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.8 mt-10 -84.38 -34.33 23.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.921 -0.581 . . . . 2.07 110.978 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -65.24 -33.03 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.768 179.946 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.64 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.66 111.251 -179.784 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -54.31 -46.5 72.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 1.79 110.879 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' B' ' 20' ' ' LEU . 11.0 mt -65.4 -50.24 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.63 110.95 179.819 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -53.16 -42.3 66.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 1.99 111.267 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.75 79.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.65 111.274 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' HD13 ' B' ' 13' ' ' ILE . 13.4 mtpt -65.15 -36.78 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 1.53 111.141 -179.851 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.715 ' HG3' HD11 ' B' ' 17' ' ' ILE . 0.8 OUTLIER -72.34 -46.21 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 2.89 110.915 -179.943 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -50.54 71.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 0.81 111.285 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 27' ' ' LEU . 12.1 ptt180 -54.08 -42.14 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 2.54 110.607 -179.85 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.732 HD23 HG23 ' B' ' 10' ' ' ILE . 7.5 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 1.35 110.48 179.002 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.029 0.443 . . . . 1.94 111.083 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.34 -39.32 25.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.009 -0.541 . . . . 2.22 110.538 179.872 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.57 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.4 ttmm -61.28 -37.69 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 2.37 110.746 179.906 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.732 HG23 HD23 ' A' ' 27' ' ' LEU . 13.9 pt -69.0 -46.52 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 1.11 111.448 179.981 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -49.87 -33.87 18.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.498 0.665 . . . . 1.51 110.198 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -50.46 50.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.323 -0.853 . . . . 1.44 109.888 179.183 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' B' ' 17' ' ' ILE . 46.5 mt -58.4 -47.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 0.55 110.381 179.278 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -47.19 -35.84 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.234 179.845 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -28.89 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 1.19 110.376 179.666 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -86.18 -34.49 20.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.895 -0.593 . . . . 2.03 111.322 -179.61 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -63.51 -31.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 1.06 110.631 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -40.53 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.58 111.257 -179.78 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.37 -44.1 68.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 1.58 110.958 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -68.13 -53.11 27.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.981 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -50.46 -33.16 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.98 111.332 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.31 76.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.62 111.151 -179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 23' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 20' ' ' LEU . 10.7 mttm -66.71 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 1.43 111.197 -179.865 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.888 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.59 -44.49 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 2.28 111.259 -179.787 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -53.98 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.75 111.295 -179.633 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -49.58 -44.16 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 2.89 110.485 -179.815 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 10' ' ' ILE . 5.7 mp -63.74 -37.66 88.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 1.38 110.165 179.303 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.9 t -62.15 -45.8 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.79 110.413 179.359 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.8 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 2.33 109.698 179.031 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.83 -32.12 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 2.39 110.249 179.151 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' B' ' 31' ' ' HIS . 22.1 p-80 . . . . . 0 C--O 1.232 0.153 0 CA-C-N 116.287 -0.415 . . . . 3.18 111.036 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.824 0.345 . . . . 7.53 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.06 -35.01 4.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 4.49 112.497 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.39 -77.9 1.02 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 3.06 112.557 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -137.53 13.67 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.698 0.285 . . . . 3.1 111.445 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -52.0 -28.54 17.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.281 0.562 . . . . 1.85 109.947 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' B' ' 31' ' ' HIS . 28.4 mt -83.55 -44.81 18.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 1.09 110.231 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HA ' HD11 ' A' ' 10' ' ' ILE . 17.7 tt0 -54.98 -28.34 50.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.512 -0.767 . . . . 2.17 110.74 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -76.97 -41.93 41.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 2.37 110.319 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -62.49 -38.96 91.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.669 -0.696 . . . . 2.13 110.671 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.7 pt -70.81 -43.47 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.5 111.233 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.64 -33.99 16.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.478 0.656 . . . . 1.57 109.825 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.57 71.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.195 -0.911 . . . . 1.72 109.114 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' A' ' 17' ' ' ILE . 29.4 mt -59.85 -47.03 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.353 -0.839 . . . . 0.48 110.193 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.6 -32.56 8.34 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.351 -0.386 . . . . 1.24 111.113 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -28.82 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.71 110.191 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.2 mt-10 -84.98 -34.32 22.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.843 -0.617 . . . . 2.04 111.127 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -64.53 -33.24 61.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.41 110.682 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.41 -38.34 35.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.778 -0.646 . . . . 0.45 111.235 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.3 -44.57 72.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.394 . . . . 1.54 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 11.1 mt -67.28 -51.84 47.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.45 110.946 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -51.65 -33.92 35.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 1.77 111.286 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.81 -33.97 71.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.55 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.81 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -68.26 -33.37 74.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 2.0 111.091 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -71.72 -46.99 56.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.8 111.3 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -55.54 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.56 111.195 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.19 -43.72 52.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 2.74 110.333 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -63.44 -36.65 84.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 1.21 110.064 179.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.8 t -62.78 -44.33 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.81 110.069 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -33.23 38.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 2.26 109.468 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -68.88 -31.88 71.13 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.493 -0.776 . . . . 2.38 110.217 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' HB3' HD12 ' B' ' 6' ' ' ILE . 22.3 p-80 -139.52 73.9 34.97 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.239 -0.437 . . . . 1.45 110.999 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.3 -27.39 28.73 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.556 2.171 . . . . 1.51 112.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 3.99 110.895 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.815 0.34 . . . . 7.32 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.43 76.98 0.12 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 4.09 112.477 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.48 -72.47 0.62 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 2.78 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -135.59 12.64 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.719 0.295 . . . . 2.72 111.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -28.59 16.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.243 0.544 . . . . 2.0 109.908 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 31' ' ' HIS . 26.2 mt -81.24 -44.97 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 115.318 -0.855 . . . . 1.09 110.24 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.418 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 -55.54 -27.86 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.465 -0.788 . . . . 1.88 110.82 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -76.8 -43.44 36.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.116 -0.493 . . . . 2.42 110.301 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -61.22 -39.61 90.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.732 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.8 pt -69.78 -43.48 79.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.49 111.226 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.22 -34.14 14.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.452 0.644 . . . . 1.63 109.878 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.43 -47.77 72.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.261 -0.881 . . . . 1.68 109.052 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.697 HG22 HD11 ' B' ' 17' ' ' ILE . 20.1 mt -59.44 -46.5 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.287 -0.869 . . . . 0.44 110.16 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.9 t0 -48.48 -33.09 8.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.879 0.371 . . . . 1.18 111.055 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.66 60.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.69 110.195 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -85.42 -34.6 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 2.03 111.206 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.8 mt -64.07 -32.74 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.122 -0.49 . . . . 0.39 110.697 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 -39.6 29.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.777 -0.647 . . . . 0.43 111.222 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.81 -43.37 69.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 1.57 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -68.41 -52.29 34.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.56 110.958 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -52.26 -33.37 41.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 1.75 111.249 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -32.82 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.56 111.08 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.883 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -69.94 -33.21 71.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.82 111.156 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.18 -43.83 70.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.351 -0.386 . . . . 0.9 111.168 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -55.36 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.66 111.288 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.1 ptm180 -50.06 -42.54 50.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.132 0.492 . . . . 2.77 110.45 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.883 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.4 OUTLIER -63.83 -36.96 85.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.793 -0.639 . . . . 1.43 110.003 179.094 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.58 -44.06 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 CA-C-N 116.178 -0.464 . . . . 0.83 110.04 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -32.17 33.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 2.13 109.495 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.08 -31.81 68.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.509 -0.769 . . . . 2.16 110.24 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.663 ' HB3' HD12 ' A' ' 6' ' ' ILE . 20.7 p-80 -139.95 70.54 35.72 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.284 -0.416 . . . . 1.26 111.007 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.15 -27.4 29.44 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.564 2.176 . . . . 1.42 112.365 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 4.14 110.921 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.803 0.335 . . . . 4.94 111.226 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.06 39.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 3.04 112.486 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.96 -119.05 2.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.838 -0.696 . . . . 1.84 112.466 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -93.29 14.1 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.664 0.269 . . . . 2.71 111.374 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -52.79 -28.72 23.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.187 0.518 . . . . 2.64 110.08 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.64 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -80.22 -44.46 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.445 -0.798 . . . . 1.8 110.329 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -57.75 -26.51 61.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 2.15 110.774 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -79.92 -43.38 22.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 2.21 110.361 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.589 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -59.9 -36.21 76.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.654 -0.703 . . . . 2.42 110.768 179.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -70.49 -43.16 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.132 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -49.14 -34.42 14.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.395 0.617 . . . . 1.48 109.804 179.575 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.7 m-20 -67.27 -47.73 69.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.299 -0.864 . . . . 1.41 109.584 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.737 HG22 HD11 ' A' ' 17' ' ' ILE . 42.2 mt -60.94 -47.57 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.657 -0.701 . . . . 0.48 110.372 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.25 -32.65 7.5 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.085 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -76.03 -28.83 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.359 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.3 mm-40 -84.45 -33.8 23.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.988 -0.551 . . . . 2.07 110.885 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.6 -33.96 66.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.952 -0.567 . . . . 0.94 110.727 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.02 -36.55 40.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.814 -0.63 . . . . 0.66 111.167 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -54.17 -44.36 71.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 1.79 110.997 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.83 -50.31 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.63 111.003 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -51.62 -33.73 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 1.99 111.133 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -33.47 66.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.65 111.124 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -70.89 -32.9 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.53 111.057 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.852 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 ttt-85 -72.24 -42.7 65.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.311 -0.404 . . . . 2.89 111.062 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -54.48 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.81 111.231 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -48.72 -43.18 37.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.094 0.473 . . . . 2.54 110.504 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 HG23 ' B' ' 6' ' ' ILE . 0.6 OUTLIER -63.7 -38.47 91.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 1.35 110.075 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.8 t -61.52 -44.83 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.136 -0.484 . . . . 0.79 110.246 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -52.03 -33.62 39.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.927 -0.579 . . . . 2.23 109.605 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -31.87 71.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.604 -0.726 . . . . 2.29 110.248 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.612 ' CE1' HG22 ' B' ' 6' ' ' ILE . 20.7 p-80 -137.79 81.22 29.03 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-N 116.287 -0.415 . . . . 2.47 110.945 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -68.85 166.88 24.83 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 2.23 112.3 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 5.58 110.947 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 91.9 m . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.761 0.315 . . . . 5.51 110.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.43 27.85 5.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.777 . . . . 3.11 112.508 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.97 -105.64 3.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 1.66 112.476 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.87 13.79 33.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.677 0.275 . . . . 2.59 111.328 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -52.38 -29.35 23.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.241 0.543 . . . . 2.22 110.117 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.612 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.6 mt -79.83 -44.4 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.45 -0.795 . . . . 1.57 110.226 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.405 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.7 tt0 -56.5 -27.07 56.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.642 -0.708 . . . . 1.94 110.729 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -79.02 -43.7 23.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.138 0.494 . . . . 2.22 110.151 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -59.77 -38.4 81.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 2.37 110.69 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.57 -42.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 1.11 111.021 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.6 OUTLIER -48.04 -34.87 10.16 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.403 0.62 . . . . 1.51 109.791 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -67.05 -48.26 68.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.851 . . . . 1.44 109.446 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' B' ' 17' ' ' ILE . 31.1 mt -59.82 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.597 -0.729 . . . . 0.55 110.371 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.1 t70 -48.68 -32.41 8.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.93 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.4 -28.54 59.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 1.19 110.309 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 14.4 mt-10 -85.32 -35.02 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.928 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.39 -33.18 59.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.06 110.721 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.02 -36.76 30.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.152 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -54.15 -45.35 71.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.941 0.401 . . . . 1.58 110.811 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.774 HD11 HD11 ' A' ' 20' ' ' LEU . 7.5 mt -68.46 -50.5 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.63 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -52.24 -31.29 31.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.98 111.074 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.78 -33.75 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.62 111.068 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -33.01 71.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 1.43 110.956 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.876 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -71.76 -40.9 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.042 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -55.52 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.75 111.372 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.413 ' NH1' HD12 ' B' ' 27' ' ' LEU . 7.4 ptm180 -48.72 -42.72 36.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.07 0.462 . . . . 2.89 110.517 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.589 HD21 ' HD2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -62.94 -38.9 92.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.817 -0.629 . . . . 1.38 109.949 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.876 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.9 t -61.47 -44.82 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.074 -0.512 . . . . 0.79 110.128 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -31.54 35.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 2.33 109.713 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -71.1 -30.99 67.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.569 -0.742 . . . . 2.39 110.307 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.64 ' CE1' HG22 ' A' ' 6' ' ' ILE . 23.3 p-80 -140.23 70.99 33.85 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.296 -0.411 . . . . 3.18 111.02 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.76 -27.67 14.61 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.537 2.158 . . . . 2.31 112.317 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.224 -0.894 . . . . 5.81 110.884 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.82 0.343 . . . . 4.94 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.81 117.87 13.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 3.04 112.491 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.51 -76.45 1.32 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 1.84 112.515 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -103.35 15.2 29.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 2.71 111.352 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.73 -29.52 27.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.151 0.5 . . . . 2.64 110.057 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.714 HD12 ' HB3' ' B' ' 31' ' ' HIS . 26.5 mt -82.24 -44.58 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.368 -0.833 . . . . 1.8 110.263 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -55.03 -26.25 36.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.641 -0.709 . . . . 2.15 110.722 179.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -43.67 41.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 2.21 110.156 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -60.83 -43.18 98.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.699 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' NH2' ' B' ' 24' ' ' ARG . 13.9 pt -67.15 -42.5 88.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.95 111.058 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.18 -35.17 11.22 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.886 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -47.09 73.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.36 -0.836 . . . . 1.41 109.504 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 17' ' ' ILE . 35.3 mt -61.34 -47.72 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.634 -0.712 . . . . 0.48 110.314 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.921 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.4 t70 -47.96 -31.8 5.69 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.302 -0.408 . . . . 1.29 111.025 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.9 -29.24 55.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 1.11 110.449 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -84.53 -33.33 23.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 2.07 110.937 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.71 -36.3 77.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.51 . . . . 0.94 110.66 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.06 -34.91 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.691 -0.686 . . . . 0.66 111.277 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.01 -47.95 73.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 1.79 110.737 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' B' ' 20' ' ' LEU . 7.0 mt -64.01 -51.68 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.838 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -49.03 -30.37 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.474 . . . . 1.99 111.044 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.85 67.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.65 111.004 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.19 -33.23 74.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 1.53 111.054 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.1 ttt-85 -71.63 -43.11 66.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 2.89 111.129 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.82 -54.73 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.81 111.253 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -49.21 -44.98 43.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.109 0.48 . . . . 2.54 110.407 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 5.1 mp -60.86 -38.21 84.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.763 -0.653 . . . . 1.35 109.899 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.2 t -63.12 -45.0 99.74 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 116.117 -0.492 . . . . 0.79 110.168 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -52.45 -27.7 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.783 -0.644 . . . . 2.23 109.92 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -76.8 -30.7 56.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.701 -0.681 . . . . 2.29 110.443 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' CE1' HG22 ' B' ' 6' ' ' ILE . 21.4 p-80 -138.34 59.92 19.57 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-N 116.44 -0.346 . . . . 2.47 111.083 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -80.42 -30.82 1.83 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.615 2.21 . . . . 2.23 112.381 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 5.58 110.925 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 5.51 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.66 164.13 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 3.11 112.515 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.69 -93.81 0.56 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 1.66 112.504 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -93.38 14.27 19.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 2.59 111.381 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -52.91 -28.72 24.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.173 0.511 . . . . 2.22 110.087 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.598 HG22 ' CE1' ' A' ' 31' ' ' HIS . 22.7 mt -79.32 -44.85 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.459 -0.791 . . . . 1.57 110.282 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.37 -29.37 58.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.626 -0.715 . . . . 1.94 110.722 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -78.43 -43.2 27.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 2.22 110.114 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -60.57 -36.51 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.567 -0.742 . . . . 2.37 110.815 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.1 pt -70.69 -43.74 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 1.11 111.14 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -48.51 -34.47 11.33 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.404 0.621 . . . . 1.51 109.817 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.3 OUTLIER -67.33 -47.01 71.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.273 -0.876 . . . . 1.44 109.515 178.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.756 HG22 HD11 ' B' ' 17' ' ' ILE . 35.4 mt -61.0 -48.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.598 -0.728 . . . . 0.55 110.372 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.41 -31.82 6.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.329 -0.396 . . . . 1.32 110.97 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.38 -28.38 56.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.393 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -85.36 -34.33 21.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 2.03 110.944 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.9 mt -64.17 -34.63 70.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.025 -0.534 . . . . 1.06 110.647 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.45 -36.82 38.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.693 -0.685 . . . . 0.58 111.285 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.33 -43.48 67.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 1.58 110.848 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.808 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -69.6 -49.74 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.081 -0.509 . . . . 0.63 110.85 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.18 -34.69 32.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 1.98 111.121 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.27 73.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.62 111.035 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.445 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -67.07 -32.96 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 1.43 111.056 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -73.36 -42.96 61.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.28 111.101 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -53.66 51.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.75 111.209 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -49.85 -44.93 49.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.139 0.495 . . . . 2.89 110.446 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.574 HD22 HG23 ' A' ' 6' ' ' ILE . 10.2 mt -61.57 -37.31 83.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.852 -0.613 . . . . 1.38 110.0 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.2 t -64.82 -43.38 96.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.79 110.091 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -52.99 -28.52 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 2.33 109.855 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -76.49 -31.16 57.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.39 110.497 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.714 ' HB3' HD12 ' A' ' 6' ' ' ILE . 25.1 p-80 -138.58 60.93 21.82 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-O 120.9 0.381 . . . . 3.18 110.994 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.22 -30.76 5.22 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.656 2.237 . . . . 2.31 112.362 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.234 -0.889 . . . . 5.81 110.887 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.826 0.346 . . . . 4.94 111.186 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.41 -137.52 2.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.66 -0.781 . . . . 3.04 112.485 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.48 -166.17 17.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 1.84 112.503 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -93.68 14.5 18.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 2.71 111.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -27.44 27.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.25 0.548 . . . . 2.64 110.012 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.649 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.4 mt -81.32 -44.75 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.463 -0.79 . . . . 1.8 110.345 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 10' ' ' ILE . 8.1 tt0 -56.41 -28.74 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.569 -0.741 . . . . 2.15 110.809 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -74.71 -40.35 61.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.111 0.482 . . . . 2.21 110.195 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -60.69 -40.0 90.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.89 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.6 pt -70.06 -43.18 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.95 111.097 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.7 t70 -47.99 -34.41 9.26 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.389 0.614 . . . . 1.48 109.998 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -68.22 -48.29 65.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.324 -0.853 . . . . 1.41 109.597 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 17' ' ' ILE . 35.2 mt -59.93 -48.05 89.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.692 -0.685 . . . . 0.48 110.287 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.83 -32.82 9.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.223 -0.444 . . . . 1.29 111.136 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.87 -28.15 60.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 1.11 110.288 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.4 mm-40 -85.7 -35.81 20.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.792 -0.64 . . . . 2.07 110.94 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -62.54 -32.25 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.003 -0.544 . . . . 0.94 110.64 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.62 -37.16 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.66 111.082 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -54.18 -43.89 71.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.948 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 11.3 mt -70.33 -51.52 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.983 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -32.68 54.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.99 111.144 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.76 -33.98 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.65 111.225 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.64 -35.48 65.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 1.53 111.032 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.868 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -66.55 -44.71 81.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 2.89 111.136 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -55.36 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.307 -0.406 . . . . 0.81 111.239 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -48.8 -42.28 35.39 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.084 0.469 . . . . 2.54 110.435 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 23' ' ' LYS . 3.6 mt -63.51 -38.64 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.838 -0.619 . . . . 1.35 109.938 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 24' ' ' ARG . 26.3 t -63.6 -44.77 98.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.79 110.108 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -52.71 -29.0 24.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.734 -0.666 . . . . 2.23 109.887 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -74.12 -31.65 62.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.662 -0.699 . . . . 2.29 110.321 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.656 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.4 p-80 -138.94 66.05 38.89 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.346 -0.388 . . . . 2.47 111.061 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.3 -28.75 12.11 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.509 2.139 . . . . 2.23 112.346 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 5.58 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 5.51 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.27 55.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 3.11 112.539 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.21 -133.47 16.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 1.66 112.535 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.42 12.89 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.721 0.295 . . . . 2.59 111.419 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.61 -28.13 19.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.143 0.497 . . . . 2.22 110.154 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.656 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mt -79.88 -43.91 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.446 -0.797 . . . . 1.57 110.394 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -31.28 65.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.725 . . . . 1.94 110.82 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.23 -41.79 39.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.163 -0.472 . . . . 2.22 110.335 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -36.51 80.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.737 -0.665 . . . . 2.37 110.817 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.437 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.3 pt -71.89 -43.87 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.419 -0.355 . . . . 1.11 111.223 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.437 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.0 m-20 -49.0 -34.66 13.53 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.392 0.615 . . . . 1.51 109.88 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 13.1 t0 -67.6 -46.79 71.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.359 -0.837 . . . . 1.44 109.521 178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' B' ' 17' ' ' ILE . 47.8 mt -61.2 -47.73 92.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.55 110.29 179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.1 t0 -47.89 -33.13 7.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.182 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -75.81 -28.91 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.19 110.418 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.64 -33.84 23.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 2.03 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.7 mt -64.07 -34.31 67.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 1.06 110.649 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.46 -37.66 43.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.756 -0.657 . . . . 0.58 111.252 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -45.13 73.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.883 0.373 . . . . 1.58 111.09 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 7.6 mt -67.13 -52.99 34.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.63 111.104 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -33.47 14.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.225 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -33.5 66.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.62 111.137 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 13' ' ' ILE . 10.7 mtpp -70.89 -32.83 69.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 1.43 111.123 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.74 -42.17 64.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 2.28 111.236 -179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -54.17 39.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.75 111.339 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -49.66 -44.18 47.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.045 0.45 . . . . 2.89 110.476 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.648 HD12 HG23 ' A' ' 6' ' ' ILE . 3.0 mm? -62.69 -36.52 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.923 -0.581 . . . . 1.38 110.109 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.7 t -63.71 -43.2 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.79 110.133 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.69 -33.16 46.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.985 -0.552 . . . . 2.33 109.65 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.79 -31.7 69.77 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.577 -0.738 . . . . 2.39 110.199 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' A' ' 6' ' ' ILE . 33.2 p-80 -142.17 72.44 22.4 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 3.18 110.971 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.35 -28.6 27.04 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.202 . . . . 2.31 112.259 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.18 -0.914 . . . . 5.81 110.898 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.789 0.328 . . . . 4.94 111.242 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.75 141.6 6.61 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.73 -0.748 . . . . 3.04 112.508 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.34 -121.49 0.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 1.84 112.434 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.82 12.98 21.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 2.71 111.356 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.69 -28.14 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.226 0.536 . . . . 2.64 110.074 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.646 HG22 ' CE1' ' B' ' 31' ' ' HIS . 26.5 mt -79.87 -44.59 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 115.417 -0.811 . . . . 1.8 110.352 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -56.83 -29.02 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.613 -0.722 . . . . 2.15 110.803 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -42.29 21.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.187 0.518 . . . . 2.21 110.149 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.641 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -60.23 -34.65 73.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.601 -0.727 . . . . 2.42 110.765 179.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.2 pt -71.84 -43.53 68.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.443 -0.344 . . . . 0.95 111.049 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' ILE . 14.0 t70 -48.7 -34.62 12.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.354 0.597 . . . . 1.48 109.748 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.97 -49.36 65.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.356 -0.838 . . . . 1.41 109.641 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.681 HG22 HD11 ' A' ' 17' ' ' ILE . 42.9 mt -59.67 -47.29 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.639 -0.71 . . . . 0.48 110.406 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.43 -32.87 8.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 1.29 111.002 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -75.66 -28.41 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 1.11 110.381 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.59 -33.85 23.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 2.07 110.908 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.0 mt -64.31 -33.9 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.044 -0.525 . . . . 0.94 110.663 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.35 -37.08 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.726 -0.67 . . . . 0.66 111.356 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.98 -43.94 70.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.946 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' B' ' 20' ' ' LEU . 9.6 mt -69.04 -50.76 45.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.937 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.26 -34.65 33.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.329 -0.396 . . . . 1.99 111.089 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.66 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.65 111.019 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.574 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.3 mtpp -69.46 -32.48 71.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.515 . . . . 1.53 111.135 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -71.12 -47.09 59.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.341 -0.391 . . . . 2.89 111.284 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -55.73 25.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.294 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -43.45 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.069 0.462 . . . . 2.54 110.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 23' ' ' LYS . 1.6 mt -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.788 -0.642 . . . . 1.35 109.956 179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.1 t -62.08 -45.02 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.474 . . . . 0.79 110.193 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -51.95 -30.96 26.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.878 -0.601 . . . . 2.23 109.752 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -71.56 -32.17 67.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 2.29 110.292 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.695 ' HB3' HD12 ' B' ' 6' ' ' ILE . 33.2 p-80 -135.64 70.3 65.98 Favored Pre-proline 0 C--N 1.332 -0.179 0 CA-C-N 116.315 -0.402 . . . . 2.47 110.992 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.15 -30.13 4.54 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.603 2.202 . . . . 2.23 112.279 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 5.58 110.839 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.895 0.379 . . . . 5.51 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.68 124.75 37.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.626 -0.797 . . . . 3.11 112.575 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.75 86.75 1.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 1.66 112.507 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 62.3 17.65 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.744 0.307 . . . . 2.59 111.366 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -28.93 47.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.189 0.518 . . . . 2.22 110.128 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 31' ' ' HIS . 22.5 mt -80.77 -45.05 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.491 -0.777 . . . . 1.57 110.298 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -55.07 -26.66 39.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 1.94 110.757 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -78.1 -41.28 35.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 2.22 110.318 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -38.74 90.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.718 -0.673 . . . . 2.37 110.706 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.419 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.6 pt -68.93 -43.28 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.052 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t70 -49.95 -34.7 21.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 1.51 109.738 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.05 -45.34 81.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.354 -0.839 . . . . 1.44 109.099 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' B' ' 17' ' ' ILE . 34.3 mt -61.05 -45.68 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.327 -0.851 . . . . 0.55 109.956 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.8 t0 -48.68 -32.57 8.57 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.319 -0.4 . . . . 1.32 110.875 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.53 58.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.362 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mt-10 -85.06 -33.87 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 2.03 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.24 -34.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 1.06 110.683 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -36.2 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.686 -0.688 . . . . 0.58 111.157 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.73 -44.96 73.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 1.58 110.895 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.778 HD11 HD11 ' A' ' 20' ' ' LEU . 6.5 mt -67.69 -50.71 56.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.63 110.912 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -51.71 -30.62 22.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.98 111.109 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -34.0 63.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.62 110.908 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.654 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.06 -34.83 75.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 1.43 110.875 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.881 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.68 -42.23 74.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 2.28 110.887 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.74 -55.28 20.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.259 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 -48.74 -42.79 36.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.105 0.479 . . . . 2.89 110.46 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.641 HD21 ' HD2' ' A' ' 9' ' ' LYS . 5.0 mp -63.42 -38.58 91.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 1.38 110.001 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.881 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -61.2 -43.45 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.27 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -53.03 -33.58 52.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.8 -0.637 . . . . 2.33 109.602 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -68.31 -31.32 70.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.208 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.646 ' CE1' HG22 ' A' ' 6' ' ' ILE . 19.4 p-80 -138.36 82.11 23.9 Favored Pre-proline 0 C--N 1.333 -0.129 0 CA-C-N 116.322 -0.399 . . . . 3.18 111.01 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.81 -9.72 26.3 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.609 2.206 . . . . 2.31 112.667 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.192 -0.908 . . . . 5.81 110.981 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.854 0.359 . . . . 4.94 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.83 81.73 0.22 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 3.04 112.544 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.43 -99.2 2.56 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.759 -0.734 . . . . 1.84 112.518 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -108.54 14.33 24.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 2.71 111.458 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -52.16 -29.52 22.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.176 0.512 . . . . 2.64 110.105 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.703 HD12 ' HB3' ' B' ' 31' ' ' HIS . 27.5 mt -82.66 -43.83 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.362 -0.835 . . . . 1.8 110.316 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 10' ' ' ILE . 2.8 tt0 -55.4 -25.98 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.651 -0.704 . . . . 2.15 110.793 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.48 -44.55 43.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 2.21 110.201 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -43.87 96.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.76 -0.654 . . . . 2.42 110.74 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.1 pt -67.29 -42.69 87.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.318 -0.401 . . . . 0.95 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -47.34 -35.65 8.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.413 0.625 . . . . 1.48 109.909 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -66.61 -48.65 68.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.489 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.669 HG22 HD11 ' A' ' 17' ' ' ILE . 28.3 mt -60.08 -46.92 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.48 110.376 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.14 -32.85 7.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.287 -0.415 . . . . 1.29 111.045 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -29.17 59.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 1.11 110.27 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.6 mt-10 -84.69 -33.72 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.926 -0.579 . . . . 2.07 110.982 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.88 -32.95 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.762 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -37.79 35.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.66 111.357 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.35 -45.05 69.0 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.958 0.409 . . . . 1.79 110.904 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 20' ' ' LEU . 10.4 mt -68.3 -49.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.63 110.889 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -50.74 -37.31 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.99 111.108 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.31 -35.02 77.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.65 110.852 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.721 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.9 mtpt -65.37 -33.11 75.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.061 -0.518 . . . . 1.53 111.073 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.916 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.37 -46.93 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 2.89 111.176 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -52.12 67.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.81 111.332 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -51.72 -47.58 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.145 0.498 . . . . 2.54 110.43 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.492 HD23 HG23 ' B' ' 10' ' ' ILE . 6.6 mp -60.8 -35.05 75.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 1.35 110.043 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 24' ' ' ARG . 34.7 t -66.07 -43.89 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.265 -0.425 . . . . 0.79 110.149 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -51.03 -30.24 14.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.894 -0.594 . . . . 2.23 109.91 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -75.73 -32.89 60.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.604 -0.726 . . . . 2.29 110.446 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.594 ' HB3' HD13 ' B' ' 6' ' ' ILE . 19.0 p-80 -137.93 61.68 29.7 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.377 -0.374 . . . . 2.47 111.048 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.75 -31.18 8.71 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.577 2.184 . . . . 2.23 112.369 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.14 -0.482 . . . . 5.58 110.89 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 5.51 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.01 168.27 15.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.76 . . . . 3.11 112.475 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.16 29.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 1.66 112.473 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.2 17.6 9.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.72 0.295 . . . . 2.59 111.392 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -54.25 -29.84 48.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.189 0.519 . . . . 2.22 110.007 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 31' ' ' HIS . 1.6 mp -77.24 -46.56 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.423 -0.808 . . . . 1.57 110.294 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.423 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -54.64 -29.69 53.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.646 -0.706 . . . . 1.94 110.794 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -76.75 -41.69 43.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 2.22 110.262 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.4 ' HE2' HD21 ' A' ' 27' ' ' LEU . 6.6 mtpt -61.75 -40.72 96.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.757 -0.656 . . . . 2.37 110.684 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.492 HG23 HD23 ' A' ' 27' ' ' LEU . 17.4 pt -69.53 -43.04 80.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.334 -0.394 . . . . 1.11 111.152 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -48.8 -34.91 13.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.386 0.612 . . . . 1.51 109.985 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.0 -47.73 70.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.309 -0.86 . . . . 1.44 109.398 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.721 HD13 ' HB3' ' A' ' 23' ' ' LYS . 24.1 mt -60.04 -46.79 93.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.463 -0.79 . . . . 0.55 110.162 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.71 -32.53 8.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.009 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.37 -28.78 59.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.19 110.304 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 4.0 mm-40 -85.03 -33.9 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 2.03 111.009 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.2 -32.62 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 1.06 110.773 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.33 -37.31 32.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.81 -0.632 . . . . 0.58 111.25 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.49 -43.74 68.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.782 HD11 HD11 ' A' ' 20' ' ' LEU . 7.3 mt -70.13 -49.94 45.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.63 110.969 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.62 -37.68 63.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.159 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.31 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.62 111.196 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.568 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.4 mtpt -70.26 -32.46 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.43 111.02 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.7 ttt-85 -72.42 -43.99 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 2.28 111.088 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -53.89 48.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.33 -0.395 . . . . 0.75 111.212 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -48.96 -43.67 40.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.089 0.471 . . . . 2.89 110.449 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.568 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.2 mt -63.55 -38.12 89.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.779 -0.646 . . . . 1.38 110.126 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 23.2 t -63.81 -44.06 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.79 110.249 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.55 -31.52 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 2.33 109.807 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -71.37 -32.17 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.634 -0.712 . . . . 2.39 110.285 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.703 ' HB3' HD12 ' A' ' 6' ' ' ILE . 22.9 p-80 -137.12 71.25 55.25 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.278 -0.419 . . . . 3.18 111.004 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.58 -27.25 32.91 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.55 2.167 . . . . 2.31 112.353 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.17 -0.919 . . . . 5.81 110.879 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.908 0.385 . . . . 4.94 111.166 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.59 177.48 21.18 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.782 -0.723 . . . . 3.04 112.511 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.41 -145.45 18.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 1.84 112.505 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -92.78 13.87 18.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.7 0.286 . . . . 2.71 111.377 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.09 -28.32 24.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.205 0.526 . . . . 2.64 110.018 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.74 HG23 HD12 ' B' ' 27' ' ' LEU . 24.6 mt -79.18 -44.99 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.388 -0.824 . . . . 1.8 110.197 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 -55.26 -26.19 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.616 -0.72 . . . . 2.15 110.718 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -78.45 -40.83 34.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 2.21 110.132 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -61.74 -38.97 89.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.698 -0.683 . . . . 2.42 110.777 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.445 ' HB ' ' HG2' ' B' ' 24' ' ' ARG . 16.0 pt -69.45 -43.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.06 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -48.87 -35.49 14.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.447 0.642 . . . . 1.48 109.658 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -66.67 -44.61 81.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.228 -0.897 . . . . 1.41 109.101 178.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 17' ' ' ILE . 14.7 mt -60.9 -47.28 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.435 -0.802 . . . . 0.48 110.139 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.7 t0 -48.51 -32.63 8.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.947 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -28.58 59.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.11 110.335 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' O ' HD12 ' B' ' 20' ' ' LEU . 15.5 mt-10 -85.31 -35.25 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 2.07 110.981 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -63.16 -33.23 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.009 -0.542 . . . . 0.94 110.715 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.75 -36.57 31.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.702 -0.681 . . . . 0.66 111.17 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -44.13 71.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 1.79 110.809 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.5 mt -69.21 -51.14 40.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.63 110.862 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -34.87 23.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 1.99 111.098 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.86 -33.81 68.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.65 110.936 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.678 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -68.62 -35.54 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 1.53 110.852 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.892 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.34 -41.58 73.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 2.89 111.158 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -54.81 25.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.81 111.411 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -49.36 -44.08 44.51 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.07 0.462 . . . . 2.54 110.473 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.9 OUTLIER -61.11 -37.74 83.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.879 -0.601 . . . . 1.35 109.866 179.02 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 24' ' ' ARG . 30.9 t -64.99 -41.42 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 116.009 -0.541 . . . . 0.79 110.099 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -29.67 31.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.716 -0.674 . . . . 2.23 109.919 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.73 -31.33 57.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.66 -0.7 . . . . 2.29 110.471 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.607 ' CE1' HG22 ' B' ' 6' ' ' ILE . 18.7 p-80 -137.56 60.31 25.1 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-O 120.906 0.384 . . . . 2.47 111.064 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -79.04 -30.73 2.58 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.699 2.266 . . . . 2.23 112.443 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 5.58 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.805 0.336 . . . . 5.51 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.44 -75.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 3.11 112.462 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.01 57.09 1.74 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.789 -0.72 . . . . 1.66 112.509 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 62.22 17.33 9.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 2.59 111.456 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -54.78 -28.03 45.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.132 0.491 . . . . 2.22 110.088 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' A' ' 31' ' ' HIS . 22.7 mt -80.11 -45.88 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.516 -0.765 . . . . 1.57 110.347 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.25 -30.07 59.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.744 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -77.83 -42.57 33.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.511 . . . . 2.22 110.127 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -60.97 -36.81 80.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.637 -0.71 . . . . 2.37 110.79 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.2 pt -71.25 -43.56 74.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.404 -0.362 . . . . 1.11 111.151 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 7.4 t70 -48.39 -34.75 11.34 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.348 0.594 . . . . 1.51 109.761 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 32.5 m-20 -67.53 -47.49 69.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.3 -0.864 . . . . 1.44 109.543 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.696 HG22 HD11 ' B' ' 17' ' ' ILE . 35.7 mt -60.47 -47.99 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.55 110.345 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.54 -32.55 8.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.32 111.019 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.62 -28.26 58.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 1.19 110.389 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 5.8 mm-40 -85.08 -35.12 22.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 2.03 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -62.96 -34.53 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.06 110.623 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.42 -36.9 38.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.744 -0.662 . . . . 0.58 111.193 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.13 -41.68 68.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.58 111.074 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -70.91 -56.14 6.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.63 111.069 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.72 -39.19 36.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 1.98 111.12 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.89 -29.51 67.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.62 110.817 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD23 ' B' ' 27' ' ' LEU . 10.1 mtpp -74.54 -33.18 62.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 1.43 110.926 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' B' ' 28' ' ' VAL . 19.5 ttt180 -72.33 -44.22 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 2.28 111.149 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -54.45 45.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.75 110.829 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -49.84 -42.78 48.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 2.89 110.335 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.74 HD12 HG23 ' A' ' 6' ' ' ILE . 3.0 mm? -63.49 -38.16 90.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.794 -0.639 . . . . 1.38 109.888 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.0 t -64.18 -43.08 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.79 110.339 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -52.83 -32.78 46.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.605 . . . . 2.33 109.978 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -71.2 -32.03 68.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.716 -0.675 . . . . 2.39 110.329 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.634 ' HB3' HD12 ' A' ' 6' ' ' ILE . 38.5 p-80 -133.97 71.93 73.07 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.905 0.383 . . . . 3.18 111.092 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.59 -25.54 34.51 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.559 2.172 . . . . 2.31 112.287 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 5.81 110.941 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.816 0.341 . . . . 4.94 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.38 20.6 8.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.821 -0.704 . . . . 3.04 112.645 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.43 -90.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 1.84 112.607 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -112.39 16.12 20.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.68 0.276 . . . . 2.71 111.315 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -52.22 -31.23 31.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.212 0.529 . . . . 2.64 109.951 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.3 mp -82.62 -44.0 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.4 -0.818 . . . . 1.8 110.174 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 10' ' ' ILE . 7.0 tt0 -53.58 -25.72 18.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.549 -0.75 . . . . 2.15 110.667 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -75.55 -43.1 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 2.21 110.086 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -43.96 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.689 -0.687 . . . . 2.42 110.698 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.1 pt -66.61 -42.48 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.95 110.911 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.65 -35.18 9.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.378 0.609 . . . . 1.48 109.879 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.82 -48.51 68.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.61 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' A' ' 17' ' ' ILE . 38.4 mt -60.17 -47.11 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.632 -0.713 . . . . 0.48 110.335 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.925 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.9 t0 -48.73 -31.98 7.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.22 -0.446 . . . . 1.29 110.985 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -28.64 58.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.334 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.32 -33.69 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.966 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.925 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -65.13 -33.57 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.593 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -36.52 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.797 -0.638 . . . . 0.66 111.218 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -53.28 -43.37 67.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 1.79 110.837 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' B' ' 20' ' ' LEU . 6.8 mt -70.33 -50.14 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.63 110.757 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -52.56 -34.99 52.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.88 -33.09 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.65 110.898 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.43 -36.42 81.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 1.53 110.835 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -65.81 -46.85 77.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 2.89 111.067 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -55.56 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.227 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.6 ptm180 -49.64 -43.56 46.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.101 0.476 . . . . 2.54 110.432 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.733 HD12 HG23 ' B' ' 6' ' ' ILE . 3.1 mm? -62.13 -38.49 89.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.832 -0.622 . . . . 1.35 109.968 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 24' ' ' ARG . 37.2 t -63.0 -43.68 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.107 -0.497 . . . . 0.79 110.166 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -52.08 -30.85 27.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 2.23 109.795 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -73.35 -31.51 64.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.627 -0.715 . . . . 2.29 110.281 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.607 ' CE1' HG22 ' B' ' 6' ' ' ILE . 34.0 p-80 -137.32 65.91 50.8 Favored Pre-proline 0 C--N 1.333 -0.13 0 CA-C-N 116.313 -0.403 . . . . 2.47 111.009 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.4 -26.09 1.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.693 2.262 . . . . 2.23 112.447 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 5.58 110.901 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 5.51 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.18 -107.84 3.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 3.11 112.545 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.72 -147.98 34.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 1.66 112.562 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.23 14.47 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.712 0.291 . . . . 2.59 111.367 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -53.26 -28.64 28.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.145 0.498 . . . . 2.22 109.876 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.733 HG23 HD12 ' A' ' 27' ' ' LEU . 2.5 mp -79.03 -45.52 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.433 -0.803 . . . . 1.57 110.265 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.84 -26.72 48.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.493 -0.776 . . . . 1.94 110.686 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -39.25 29.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.11 0.481 . . . . 2.22 110.244 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -36.9 84.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.75 -0.659 . . . . 2.37 110.656 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.0 pt -70.11 -43.36 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 1.11 111.133 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.4 t0 -50.63 -34.82 27.66 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.429 0.633 . . . . 1.51 109.722 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -44.99 83.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.241 -0.89 . . . . 1.44 109.201 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.678 HG22 HD11 ' B' ' 17' ' ' ILE . 25.3 mt -61.9 -46.84 95.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.313 -0.858 . . . . 0.55 110.134 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.9 t0 -47.99 -31.46 5.35 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.277 -0.42 . . . . 1.32 110.93 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.96 -30.13 55.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.056 0.455 . . . . 1.19 110.493 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.434 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.9 mt-10 -83.9 -32.31 25.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.599 . . . . 2.03 111.012 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -65.71 -36.25 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.129 0.49 . . . . 1.06 110.718 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.31 -35.36 55.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.662 -0.699 . . . . 0.58 111.356 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -54.83 -48.09 73.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 1.58 110.857 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.828 HD11 HD11 ' A' ' 20' ' ' LEU . 6.3 mt -63.8 -51.1 66.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.075 -0.512 . . . . 0.63 110.79 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -48.86 -30.58 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 1.98 110.976 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.99 -36.85 67.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.62 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -66.4 -31.89 72.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.103 -0.499 . . . . 1.43 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.22 -42.61 59.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.293 -0.412 . . . . 2.28 111.122 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -54.25 41.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.75 111.32 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.9 -45.49 50.91 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.104 0.478 . . . . 2.89 110.399 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.435 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 mt -60.38 -36.75 78.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.811 -0.632 . . . . 1.38 110.077 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.1 t -65.14 -42.5 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 CA-C-N 116.043 -0.526 . . . . 0.79 110.108 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -52.78 -29.5 27.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.876 -0.602 . . . . 2.33 109.955 179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.42 -31.08 57.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 2.39 110.471 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.573 ' CE1' HG22 ' A' ' 6' ' ' ILE . 25.6 p-80 -139.14 61.27 20.18 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.946 0.403 . . . . 3.18 111.08 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.93 -28.32 11.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.615 2.21 . . . . 2.31 112.298 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.245 -0.883 . . . . 5.81 110.88 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.797 0.332 . . . . 4.94 111.238 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.98 170.61 14.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 3.04 112.5 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -102.87 -85.65 1.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 1.84 112.483 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.43 14.88 17.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.692 0.282 . . . . 2.71 111.244 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.56 -27.36 25.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.242 0.544 . . . . 2.64 110.092 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.65 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.0 mt -81.37 -45.08 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.421 -0.809 . . . . 1.8 110.259 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -57.19 -29.59 63.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 2.15 110.801 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -79.81 -40.48 28.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 2.21 110.119 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -61.14 -36.31 79.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 2.42 110.732 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.6 pt -71.12 -43.21 75.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.383 -0.371 . . . . 0.95 111.09 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.44 -34.34 16.39 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.372 0.606 . . . . 1.48 109.826 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.5 m-20 -67.82 -45.85 73.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.523 178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.619 HG22 HD11 ' A' ' 17' ' ' ILE . 30.6 mt -61.7 -47.71 92.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.551 -0.75 . . . . 0.48 110.327 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.86 -32.4 8.8 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.3 -0.409 . . . . 1.29 111.003 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.97 -28.51 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.051 0.453 . . . . 1.11 110.357 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.4 mm-40 -84.06 -33.99 24.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.908 -0.587 . . . . 2.07 110.854 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.7 mt -64.28 -34.84 71.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.94 110.743 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 -35.86 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.643 -0.708 . . . . 0.66 111.436 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.03 -48.83 72.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 1.79 110.78 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -62.79 -52.97 61.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.63 110.945 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -48.48 -30.15 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.257 -0.428 . . . . 1.99 111.166 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.0 -34.09 64.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.65 110.935 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -67.83 -31.32 71.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 1.53 111.17 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -71.97 -42.46 66.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.795 0.331 . . . . 2.89 111.248 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -57.22 9.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.81 111.464 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -39.09 26.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.037 0.446 . . . . 2.54 110.645 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.2 OUTLIER -67.16 -38.65 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.08 -0.509 . . . . 1.35 109.948 179.107 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 24' ' ' ARG . 46.4 t -60.14 -45.81 95.33 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.131 -0.486 . . . . 0.79 110.213 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.3 -34.9 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.526 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -65.99 -30.63 71.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.529 -0.759 . . . . 2.29 110.289 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 6' ' ' ILE . 30.9 p-80 -141.46 88.29 9.93 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-N 116.339 -0.392 . . . . 2.47 111.017 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.77 59.14 6.25 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.637 2.224 . . . . 2.23 112.312 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 5.58 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 5.51 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 125.24 82.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 3.11 112.461 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.81 -135.14 2.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.713 -0.756 . . . . 1.66 112.557 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -94.06 14.88 18.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.717 0.294 . . . . 2.59 111.372 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -53.04 -29.35 29.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.248 0.547 . . . . 2.22 110.089 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mt -78.74 -44.98 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.414 -0.812 . . . . 1.57 110.238 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.06 -24.66 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.705 . . . . 1.94 110.753 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -40.18 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.073 0.463 . . . . 2.22 110.11 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -61.78 -36.92 82.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.718 -0.674 . . . . 2.37 110.803 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.28 -43.58 78.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 1.11 111.09 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.2 m-20 -49.71 -34.64 19.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.433 0.635 . . . . 1.51 109.804 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.14 -45.57 76.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.356 178.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.715 HG22 HD11 ' B' ' 17' ' ' ILE . 19.4 mt -61.16 -48.06 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.55 110.221 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.899 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.9 t0 -48.7 -31.62 7.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.242 -0.435 . . . . 1.32 111.0 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -28.46 57.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 1.19 110.357 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 6.4 mm-40 -85.54 -34.68 21.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.843 -0.617 . . . . 2.03 110.967 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.899 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.6 mt -64.17 -33.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 1.06 110.74 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.58 33.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.647 . . . . 0.58 111.16 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -53.8 -43.61 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.58 110.839 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.773 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.56 -51.05 39.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.63 110.837 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.12 -32.89 37.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.115 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.71 -31.57 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.62 110.904 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.17 -36.46 69.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.43 111.03 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.883 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -67.85 -43.71 78.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 2.28 111.027 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.34 37.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 0.75 111.227 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 15.1 ptm180 -49.36 -44.07 44.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 2.89 110.367 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.828 -0.623 . . . . 1.38 109.937 179.146 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 24' ' ' ARG . 27.9 t -64.53 -44.47 96.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.059 -0.519 . . . . 0.79 110.106 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -52.39 -28.04 18.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.815 -0.629 . . . . 2.33 109.9 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -32.07 59.08 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.654 -0.703 . . . . 2.39 110.421 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.65 ' CE1' HG22 ' A' ' 6' ' ' ILE . 33.6 p-80 -137.34 61.71 33.72 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.083 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.48 -30.06 5.47 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.592 2.195 . . . . 2.31 112.377 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.279 -0.867 . . . . 5.81 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.847 0.356 . . . . 4.94 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.43 44.17 2.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 3.04 112.515 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.69 -145.75 44.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 1.84 112.545 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -94.52 14.32 21.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.637 0.256 . . . . 2.71 111.362 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -52.23 -30.19 26.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 2.64 110.141 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.595 HG22 ' CE1' ' B' ' 31' ' ' HIS . 4.2 mt -80.09 -43.59 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.495 -0.775 . . . . 1.8 110.306 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.1 tp10 -56.07 -25.93 47.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.63 -0.714 . . . . 2.15 110.793 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.52 -44.95 40.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.14 0.495 . . . . 2.21 110.201 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -59.95 -43.64 94.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.841 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.468 HD11 ' HA ' ' A' ' 7' ' ' GLU . 14.0 pt -67.2 -42.61 88.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.95 111.107 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -47.36 -35.5 8.27 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.4 0.619 . . . . 1.48 109.931 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -47.57 71.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.869 . . . . 1.41 109.371 178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.646 HG22 HD11 ' A' ' 17' ' ' ILE . 24.8 mt -60.25 -46.76 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 115.602 -0.726 . . . . 0.48 110.305 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.28 -32.86 7.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.988 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.36 -29.09 59.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.399 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 17.4 mt-10 -84.91 -33.46 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.864 -0.607 . . . . 2.07 111.031 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -65.19 -32.67 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.94 110.704 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.44 -37.37 32.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.631 . . . . 0.66 111.239 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.4 -45.01 69.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.96 0.409 . . . . 1.79 110.822 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' B' ' 20' ' ' LEU . 7.3 mt -68.62 -50.12 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.996 -0.547 . . . . 0.63 110.905 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -50.4 -36.85 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.99 111.144 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.15 -36.18 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.65 110.962 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.801 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.3 -33.28 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.987 -0.551 . . . . 1.53 110.913 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -74.37 -46.96 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 2.89 111.162 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -54.08 50.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.81 111.22 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 -46.03 62.2 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 2.54 110.353 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -61.15 -35.56 77.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.104 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.4 t -65.25 -43.51 95.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.79 110.062 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -51.07 -31.71 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.888 -0.596 . . . . 2.23 109.719 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -72.73 -34.16 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.57 -0.741 . . . . 2.29 110.337 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.613 ' CE1' HG22 ' B' ' 6' ' ' ILE . 27.6 p-80 -137.26 67.28 54.13 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.221 -0.445 . . . . 2.47 110.998 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.13 -27.76 9.54 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.535 2.157 . . . . 2.23 112.395 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 5.58 110.917 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.788 0.327 . . . . 5.51 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.04 -168.11 31.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 3.11 112.476 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.36 -135.0 11.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.795 -0.717 . . . . 1.66 112.526 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -104.39 14.87 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.308 . . . . 2.59 111.424 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -53.02 -28.66 25.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 2.22 110.077 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 27' ' ' LEU . 22.0 mt -81.37 -44.68 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.435 -0.802 . . . . 1.57 110.225 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.42 ' HA ' HD11 ' B' ' 10' ' ' ILE . 4.2 tt0 -56.51 -23.48 39.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.641 -0.709 . . . . 1.94 110.884 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.86 -44.01 28.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.106 0.479 . . . . 2.22 110.373 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -40.64 91.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.756 -0.657 . . . . 2.37 110.801 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' B' ' 7' ' ' GLU . 16.5 pt -68.03 -42.65 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 1.11 111.172 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 37.8 t70 -49.23 -34.92 16.08 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.364 0.602 . . . . 1.51 109.957 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -47.44 73.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.363 -0.835 . . . . 1.44 109.201 178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.756 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.0 mt -60.46 -46.29 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.412 -0.813 . . . . 0.55 110.152 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.901 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.4 t0 -48.33 -32.45 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.235 -0.439 . . . . 1.32 110.955 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.66 -29.45 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 1.19 110.326 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.1 mt-10 -84.36 -33.99 23.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 2.03 111.039 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.901 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.88 -33.58 64.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 1.06 110.738 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.23 -37.16 38.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.893 -0.594 . . . . 0.58 111.26 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.6 -43.98 69.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.288 -0.415 . . . . 1.58 111.004 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.765 HD11 HD11 ' A' ' 20' ' ' LEU . 10.1 mt -69.59 -49.55 52.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.967 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -52.45 -38.94 60.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 1.98 111.247 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.92 94.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.62 111.213 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.567 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -67.02 -33.99 76.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.089 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.09 -44.6 62.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 2.28 111.288 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.39 -55.76 21.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.75 111.266 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.37 -41.38 28.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.987 0.422 . . . . 2.89 110.488 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.567 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.4 mt -65.59 -38.52 89.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.914 -0.585 . . . . 1.38 110.024 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.4 t -62.52 -46.23 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.254 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -52.1 -32.12 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.963 -0.562 . . . . 2.33 109.702 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.87 -32.21 71.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.64 -0.709 . . . . 2.39 110.224 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.595 ' CE1' HG22 ' A' ' 6' ' ' ILE . 28.6 p-80 -136.99 74.13 50.95 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-N 116.225 -0.443 . . . . 3.18 111.043 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.44 -27.64 22.99 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.538 2.159 . . . . 2.31 112.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.287 -0.863 . . . . 5.81 110.939 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.801 0.334 . . . . 4.94 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.82 75.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.751 -0.738 . . . . 3.04 112.47 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.01 -117.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 1.84 112.54 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -112.8 15.79 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.659 0.266 . . . . 2.71 111.358 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -53.23 -28.54 27.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.198 0.523 . . . . 2.64 110.116 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.611 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.1 mp -81.69 -44.96 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.502 -0.772 . . . . 1.8 110.342 179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -25.75 50.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.62 -0.718 . . . . 2.15 110.821 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -78.95 -43.34 24.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.17 0.509 . . . . 2.21 110.284 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -37.82 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 2.42 110.665 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.54 HG23 ' CD2' ' B' ' 27' ' ' LEU . 18.3 pt -69.71 -43.16 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.95 111.14 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t70 -48.96 -34.97 14.02 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.399 0.619 . . . . 1.48 109.955 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -66.93 -47.66 71.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.37 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.2 mt -60.2 -46.04 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 115.549 -0.751 . . . . 0.48 110.23 178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.937 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.7 t0 -48.38 -33.8 9.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.322 -0.399 . . . . 1.29 110.939 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.11 110.364 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 4.7 mm-40 -84.86 -34.05 22.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 2.07 110.921 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.51 -32.56 58.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.94 110.683 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -37.67 32.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.732 -0.667 . . . . 0.66 111.276 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -54.1 -44.2 71.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.982 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -68.87 -51.96 34.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.63 111.016 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -35.19 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 1.99 111.121 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.35 -33.13 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.65 111.077 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.618 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.4 OUTLIER -70.58 -35.74 73.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 1.53 111.071 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.887 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -69.89 -41.47 74.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 2.89 111.178 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -55.23 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.81 111.336 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 11.4 ptm180 -48.86 -41.56 33.63 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.01 0.433 . . . . 2.54 110.605 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.6 OUTLIER -65.37 -38.22 89.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.566 . . . . 1.35 110.059 179.253 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.1 t -61.99 -45.32 98.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-N 116.139 -0.482 . . . . 0.79 110.197 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -34.06 38.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.907 -0.588 . . . . 2.23 109.695 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' OE1' HD13 ' B' ' 6' ' ' ILE . 8.6 tt0 -67.6 -31.99 72.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.523 -0.762 . . . . 2.29 110.16 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.635 ' CE1' HG22 ' B' ' 6' ' ' ILE . 21.9 p-80 -139.56 75.21 32.54 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 116.267 -0.424 . . . . 2.47 111.001 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.71 -25.47 61.32 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.437 2.092 . . . . 2.23 112.442 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 5.58 110.919 179.888 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.853 0.358 . . . . 5.51 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -153.93 -96.34 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.708 -0.758 . . . . 3.11 112.517 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.48 -101.09 0.72 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 1.66 112.538 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -93.3 14.32 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.625 0.25 . . . . 2.59 111.353 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.11 -28.18 24.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.215 0.531 . . . . 2.22 110.117 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.635 HG22 ' CE1' ' A' ' 31' ' ' HIS . 25.2 mt -80.16 -44.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.439 -0.8 . . . . 1.57 110.39 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -56.44 -29.87 62.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.572 -0.74 . . . . 1.94 110.826 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -77.82 -41.52 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 2.22 110.259 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -60.68 -38.49 85.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 2.37 110.783 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.2 pt -70.62 -43.42 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 1.11 111.184 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.418 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.6 t0 -48.37 -34.53 10.9 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.398 0.618 . . . . 1.51 109.871 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.51 -48.22 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.373 -0.831 . . . . 1.44 109.603 178.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 37.2 mt -60.57 -47.8 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.704 . . . . 0.55 110.374 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.932 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.31 -33.1 8.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 1.32 111.02 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.37 -28.46 59.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 1.19 110.349 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.84 -34.23 22.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 2.03 110.889 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.14 -33.2 60.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.015 -0.539 . . . . 1.06 110.689 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -37.41 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.635 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.82 -44.51 70.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 1.58 110.908 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -68.6 -50.66 49.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.63 111.01 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.14 -40.61 46.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.229 -0.442 . . . . 1.98 111.231 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.93 74.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.62 110.916 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.833 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.16 -35.33 80.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 1.43 111.033 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.92 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.9 OUTLIER -72.7 -44.79 61.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 2.28 111.278 -179.685 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -56.73 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.75 111.349 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.638 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.79 -42.83 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.121 0.486 . . . . 2.89 110.487 -179.642 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.638 HD12 ' HD2' ' B' ' 26' ' ' ARG . 0.3 OUTLIER -63.26 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.878 -0.601 . . . . 1.38 109.93 179.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 24' ' ' ARG . 47.3 t -60.55 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.79 110.198 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -33.79 43.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.623 179.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -68.83 -30.51 69.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.46 -0.791 . . . . 2.39 110.308 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.611 ' CE1' HG22 ' A' ' 6' ' ' ILE . 24.5 p-80 -140.05 79.82 21.58 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.256 -0.429 . . . . 3.18 110.903 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.31 -26.43 48.71 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.603 2.202 . . . . 2.31 112.371 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.162 -0.923 . . . . 5.81 110.88 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.784 0.326 . . . . 4.94 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.17 160.35 46.03 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.753 -0.736 . . . . 3.04 112.473 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -148.55 -107.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 1.84 112.466 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -95.43 14.83 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.648 0.261 . . . . 2.71 111.283 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.4 -28.87 31.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.178 0.513 . . . . 2.64 110.085 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.734 HD12 ' HB3' ' B' ' 31' ' ' HIS . 24.3 mt -79.4 -44.65 23.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.435 -0.802 . . . . 1.8 110.283 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.8 tt0 -54.64 -27.48 39.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.657 -0.701 . . . . 2.15 110.645 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -76.7 -41.56 44.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.019 -0.537 . . . . 2.21 110.215 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.796 -0.638 . . . . 2.42 110.778 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 19.3 pt -70.58 -43.32 77.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.95 111.161 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t70 -49.61 -34.6 18.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.425 0.631 . . . . 1.48 109.86 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 4.4 m-20 -67.04 -46.36 74.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.243 -0.889 . . . . 1.41 109.183 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' B' ' 23' ' ' LYS . 25.3 mt -60.03 -46.31 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.49 -0.777 . . . . 0.48 110.096 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.934 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.62 -33.76 10.44 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.248 -0.433 . . . . 1.29 111.024 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.66 -28.3 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.11 110.389 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.0 mt-10 -85.24 -34.36 21.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.887 -0.597 . . . . 2.07 111.05 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.8 mt -64.02 -32.55 57.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.792 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.06 -39.74 29.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.693 -0.685 . . . . 0.66 111.315 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.83 -42.75 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.79 111.123 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' B' ' 20' ' ' LEU . 10.1 mt -68.94 -54.23 16.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.63 111.046 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -51.98 -33.49 38.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 1.99 111.264 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 -29.74 63.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.65 111.226 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.71 -35.42 67.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.53 111.173 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -66.77 -44.55 81.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 2.89 111.303 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -57.4 10.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.81 111.175 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.72 -39.5 25.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 2.54 110.418 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 HG23 ' B' ' 6' ' ' ILE . 12.9 mt -66.63 -39.85 88.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.073 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.4 t -60.37 -47.51 92.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.314 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -33.18 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 2.23 109.658 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -66.86 -31.32 71.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.585 -0.734 . . . . 2.29 110.271 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.0 p-80 -137.87 86.0 18.87 Favored Pre-proline 0 C--N 1.333 -0.139 0 CA-C-N 116.283 -0.417 . . . . 2.47 111.045 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.75 -21.13 39.02 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.546 2.164 . . . . 2.23 112.435 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.296 -0.411 . . . . 5.58 110.947 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.806 0.336 . . . . 5.51 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.09 -80.99 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 3.11 112.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.51 -125.49 8.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.763 . . . . 1.66 112.529 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -93.74 14.51 18.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 2.59 111.383 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -52.86 -28.53 23.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.195 0.521 . . . . 2.22 110.176 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -81.5 -43.92 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.485 -0.78 . . . . 1.57 110.428 179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -56.02 -30.64 62.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.673 -0.694 . . . . 1.94 110.672 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.34 -40.53 43.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.049 -0.523 . . . . 2.22 110.286 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -63.04 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.73 -0.668 . . . . 2.37 110.692 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.438 HG13 ' N ' ' B' ' 11' ' ' ASP . 21.7 pt -71.02 -43.64 76.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.277 -0.42 . . . . 1.11 111.208 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.438 ' N ' HG13 ' B' ' 10' ' ' ILE . 11.1 t0 -50.28 -34.25 22.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.324 0.583 . . . . 1.51 109.882 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.381 -0.827 . . . . 1.44 109.209 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.65 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.99 -45.58 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.457 -0.792 . . . . 0.55 110.162 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.3 t0 -48.74 -33.59 10.53 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.278 -0.419 . . . . 1.32 110.941 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.1 -28.39 60.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 1.19 110.398 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.28 -33.33 22.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.964 -0.562 . . . . 2.03 111.068 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.2 mt -64.65 -33.26 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.153 0.501 . . . . 1.06 110.719 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.61 -38.04 34.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 0.58 111.2 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -43.67 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 1.58 111.048 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.53 -52.87 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.63 111.039 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -36.58 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 1.98 111.163 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -28.55 63.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.065 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.685 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.26 -34.94 68.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.43 111.129 -179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.7 -45.46 71.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.263 -179.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -55.3 29.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.375 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -49.49 -45.01 46.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.181 0.515 . . . . 2.89 110.379 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -61.17 -38.19 85.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 1.38 109.951 179.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.8 t -63.34 -44.83 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 116.205 -0.452 . . . . 0.79 110.104 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -52.15 -28.1 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.856 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.83 -30.67 56.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.727 -0.669 . . . . 2.39 110.502 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.734 ' HB3' HD12 ' A' ' 6' ' ' ILE . 31.4 p-80 -138.3 60.36 21.41 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-O 120.853 0.359 . . . . 3.18 111.055 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.77 -32.18 2.13 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.674 2.249 . . . . 2.31 112.367 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.242 -0.885 . . . . 5.81 110.939 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.886 0.374 . . . . 4.94 111.186 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.2 -78.49 0.27 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 3.04 112.45 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.16 93.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.769 -0.729 . . . . 1.84 112.231 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -158.86 -80.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.165 0.507 . . . . 2.71 110.963 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -144.67 -43.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.428 -0.805 . . . . 2.64 109.35 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.32 -51.49 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.535 -0.757 . . . . 1.8 109.558 178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.86 -33.73 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.188 -0.915 . . . . 2.15 110.907 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -78.53 -34.64 47.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 2.21 110.324 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -38.83 83.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.849 -0.614 . . . . 2.42 110.807 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.0 pt -70.55 -43.15 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.084 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -48.29 -34.73 10.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.39 0.614 . . . . 1.48 109.882 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -67.65 -48.18 67.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.328 -0.851 . . . . 1.41 109.485 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.668 HG22 HD11 ' A' ' 17' ' ' ILE . 35.5 mt -59.68 -47.56 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 0.48 110.342 179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.954 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.46 -32.98 8.56 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.366 -0.379 . . . . 1.29 111.026 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.17 -28.3 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.406 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.8 mt-10 -85.19 -35.06 21.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.07 110.936 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.954 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.0 -33.42 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 0.94 110.652 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.31 -36.79 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.247 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.63 -44.29 73.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 1.79 110.997 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.32 -51.17 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.63 111.015 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -38.03 49.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.21 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.41 -32.92 72.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.222 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -33.63 69.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 1.53 111.098 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.881 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.9 ttt-85 -73.2 -43.91 60.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 2.89 111.158 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -52.43 65.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 0.81 111.249 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -50.53 -45.86 56.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.056 0.455 . . . . 2.54 110.457 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.885 HD12 HG23 ' B' ' 6' ' ' ILE . 1.8 mm? -61.56 -36.41 80.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.966 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 24' ' ' ARG . 24.0 t -65.61 -43.69 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 116.16 -0.473 . . . . 0.79 110.163 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -52.62 -28.45 21.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 2.23 109.887 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -76.88 -31.42 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.72 -0.673 . . . . 2.29 110.469 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.712 ' HB3' HD12 ' B' ' 6' ' ' ILE . 26.3 p-80 -137.89 60.23 23.0 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.868 0.366 . . . . 2.47 111.079 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.62 -30.46 3.91 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.599 2.199 . . . . 2.23 112.371 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 5.58 110.879 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 87.2 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.772 0.32 . . . . 5.51 110.844 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.01 -152.19 23.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 3.11 112.52 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.82 -149.77 28.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 1.66 112.488 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -93.37 14.11 19.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.681 0.276 . . . . 2.59 111.324 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -28.73 24.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.192 0.52 . . . . 2.22 110.109 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.885 HG23 HD12 ' A' ' 27' ' ' LEU . 25.6 mt -79.64 -44.76 23.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.383 -0.826 . . . . 1.57 110.334 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.479 ' HA ' HD11 ' B' ' 10' ' ' ILE . 0.9 OUTLIER -55.35 -26.84 43.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.603 -0.726 . . . . 1.94 110.735 179.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.38 -42.32 54.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.12 0.486 . . . . 2.22 110.189 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -61.78 -43.47 98.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.684 -0.689 . . . . 2.37 110.756 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.479 HD11 ' HA ' ' B' ' 7' ' ' GLU . 13.0 pt -68.35 -42.57 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 1.11 111.156 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -47.41 -35.81 8.9 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.417 0.627 . . . . 1.51 109.839 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 3.5 m-20 -66.79 -47.32 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.216 -0.902 . . . . 1.44 109.388 178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 mt -60.42 -47.33 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.641 -0.709 . . . . 0.55 110.331 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.908 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.14 -32.77 7.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.377 -0.374 . . . . 1.32 111.043 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -28.91 58.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 1.19 110.398 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.1 mt-10 -84.88 -33.46 22.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.921 -0.582 . . . . 2.03 110.926 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.908 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -64.86 -33.36 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 1.06 110.78 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -36.65 36.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.58 111.218 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -54.04 -44.0 70.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.97 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -69.51 -50.99 39.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.63 110.915 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -52.17 -30.95 29.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.98 111.118 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.39 -32.93 60.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.62 111.007 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.86 ' O ' HD23 ' B' ' 27' ' ' LEU . 13.9 mtpt -72.38 -32.68 66.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 1.43 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -70.52 -42.07 71.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.347 -0.388 . . . . 2.28 110.986 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -57.21 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.75 111.351 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.478 ' CD ' HD22 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -48.59 -35.53 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.914 0.387 . . . . 2.89 110.64 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.86 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.5 mm? -70.0 -39.1 76.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 1.38 109.804 178.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.1 t -62.87 -45.69 98.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.79 110.193 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -52.9 -33.47 50.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.718 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -69.23 -30.23 68.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.586 -0.734 . . . . 2.39 110.282 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 6' ' ' ILE . 56.3 p-80 -141.63 73.05 24.57 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-N 116.328 -0.396 . . . . 3.18 111.039 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.65 -28.44 11.76 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.574 2.182 . . . . 2.31 112.374 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.89 . . . . 5.81 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.799 0.333 . . . . 4.94 111.188 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.57 -121.63 1.07 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.721 -0.752 . . . . 3.04 112.519 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.18 -126.82 8.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.762 . . . . 1.84 112.502 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -93.68 14.91 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.714 0.293 . . . . 2.71 111.364 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -53.63 -27.32 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.186 0.517 . . . . 2.64 110.131 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.647 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.9 mt -81.43 -45.16 20.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.396 -0.82 . . . . 1.8 110.278 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 41.3 tt0 -56.89 -26.61 59.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.556 -0.747 . . . . 2.15 110.942 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.38 -39.49 47.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.028 0.442 . . . . 2.21 110.329 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -62.53 -37.88 87.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.833 -0.621 . . . . 2.42 110.808 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.5 pt -70.85 -43.02 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.95 111.212 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.5 t0 -50.61 -34.34 25.63 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.265 0.555 . . . . 1.48 109.918 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -45.9 75.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.324 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.725 HD13 ' HB3' ' B' ' 23' ' ' LYS . 35.3 mt -60.97 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.385 -0.825 . . . . 0.48 110.171 178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 13.0 t0 -48.56 -33.56 9.9 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.972 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -74.85 -28.69 60.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.11 110.351 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 5.1 mm-40 -84.67 -34.42 23.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.933 -0.576 . . . . 2.07 110.924 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.38 -32.24 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.94 110.712 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -37.02 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.66 111.163 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.42 -43.81 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.969 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -70.03 -51.51 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.63 110.934 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.3 -33.28 28.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 1.99 111.191 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.08 61.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.65 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -74.54 -31.86 62.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.53 111.096 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.862 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -72.52 -44.67 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.118 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -56.62 11.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.81 111.28 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -47.98 -39.06 18.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.071 0.462 . . . . 2.54 110.467 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.609 HD22 HG23 ' B' ' 6' ' ' ILE . 13.6 mt -66.02 -40.27 90.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.906 -0.588 . . . . 1.35 109.758 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 24' ' ' ARG . 32.4 t -61.59 -46.84 95.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.021 -0.536 . . . . 0.79 110.224 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -51.76 -31.69 27.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 2.23 109.78 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.27 -32.42 71.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 2.29 110.212 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 6' ' ' ILE . 28.9 p-80 -135.9 73.72 59.13 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-N 116.253 -0.43 . . . . 2.47 110.934 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.91 172.6 13.44 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.627 2.218 . . . . 2.23 112.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 5.58 110.873 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 5.51 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.53 165.6 26.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 3.11 112.459 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.91 -100.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 1.66 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -98.13 14.31 28.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 2.59 111.37 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.75 -28.56 22.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.15 0.5 . . . . 2.22 110.105 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.0 mt -81.2 -44.66 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 1.57 110.375 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.9 -28.1 55.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.685 -0.689 . . . . 1.94 110.771 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 -43.14 25.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.117 0.484 . . . . 2.22 110.126 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -60.64 -36.03 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 2.37 110.79 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.3 pt -71.53 -43.56 71.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.367 -0.379 . . . . 1.11 111.152 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.64 -34.76 12.36 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.445 0.641 . . . . 1.51 109.781 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 7.3 m-20 -67.51 -47.37 70.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.281 -0.872 . . . . 1.44 109.46 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.567 HD12 HD12 ' A' ' 27' ' ' LEU . 24.7 mt -60.03 -47.11 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.389 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.938 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -49.06 -33.07 10.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.294 -0.412 . . . . 1.32 111.004 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -74.67 -28.21 60.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.318 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.3 mt-10 -84.67 -34.88 22.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.624 . . . . 2.03 110.908 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.938 HD12 ' HA ' ' B' ' 14' ' ' ASP . 12.5 mt -63.37 -32.58 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 1.06 110.815 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.35 -37.96 31.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.748 -0.66 . . . . 0.58 111.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.16 -43.69 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 1.58 111.037 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.726 HD11 HD11 ' A' ' 20' ' ' LEU . 10.2 mt -69.35 -52.22 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.037 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -37.23 39.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.98 111.195 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -33.5 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.62 111.018 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.725 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -67.64 -36.19 80.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.182 -0.463 . . . . 1.43 111.016 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -69.38 -42.99 74.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.22 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -56.7 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.75 111.219 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 3.5 ptm180 -49.93 -37.05 30.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.06 0.457 . . . . 2.89 110.717 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.634 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.7 OUTLIER -69.43 -37.57 77.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 1.38 109.926 179.087 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.0 t -62.62 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.79 109.971 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.402 ' O ' ' HD3' ' B' ' 32' ' ' PRO . 3.4 mp0 -54.2 -30.98 51.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 2.33 109.504 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -72.83 -29.82 63.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.646 -0.707 . . . . 2.39 110.458 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.647 ' CE1' HG22 ' A' ' 6' ' ' ILE . 42.2 p-80 -144.57 63.91 11.28 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.356 -0.384 . . . . 3.18 111.06 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' B' ' 29' ' ' GLN . 80.9 Cg_endo -78.23 -33.24 2.04 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.612 2.208 . . . . 2.31 112.421 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.283 -0.865 . . . . 5.81 110.877 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.815 0.341 . . . . 4.94 111.143 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.14 -135.67 13.13 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.729 -0.748 . . . . 3.04 112.488 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 52.85 33.11 42.42 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.701 -0.761 . . . . 1.84 112.063 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -121.49 -83.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.002 0.43 . . . . 2.71 111.167 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -146.62 -45.18 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.813 -0.631 . . . . 2.64 109.542 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.0 mt -64.3 -51.71 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.555 -0.748 . . . . 1.8 109.641 178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -54.07 -34.79 61.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.07 -0.968 . . . . 2.15 111.164 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -76.19 -36.68 58.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 2.21 110.725 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -57.71 -44.95 86.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.0 -0.546 . . . . 2.42 110.991 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.486 HD12 ' NH2' ' B' ' 24' ' ' ARG . 12.9 pt -67.92 -42.41 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.227 -0.442 . . . . 0.95 111.26 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -46.65 -35.62 6.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.47 0.652 . . . . 1.48 110.056 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.4 t70 -67.98 -47.77 67.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.31 -0.859 . . . . 1.41 109.492 178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 17' ' ' ILE . 31.2 mt -60.36 -48.46 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 0.48 110.521 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.96 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.8 t0 -48.02 -33.23 7.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 1.29 111.176 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 1.11 110.388 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.77 -34.41 22.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.875 -0.602 . . . . 2.07 110.936 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.2 mt -63.89 -34.09 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.996 -0.547 . . . . 0.94 110.738 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -36.5 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.673 -0.694 . . . . 0.66 111.274 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.05 -48.17 73.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.335 -0.393 . . . . 1.79 110.837 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' B' ' 20' ' ' LEU . 7.9 mt -63.69 -53.45 51.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.883 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -47.97 -30.1 3.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 1.99 111.102 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.73 -35.77 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.65 110.999 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HB2' HD13 ' B' ' 13' ' ' ILE . 55.1 mmtt -68.41 -31.8 71.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 1.53 110.967 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -72.74 -43.33 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 2.89 111.213 -179.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.95 -55.52 21.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.381 -0.372 . . . . 0.81 111.343 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -48.85 -43.59 38.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 2.54 110.598 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -63.2 -38.39 90.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.763 -0.653 . . . . 1.35 110.078 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.1 t -61.01 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.187 -0.46 . . . . 0.79 110.22 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -52.46 -33.95 46.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 2.23 109.688 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.71 -31.19 70.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.522 -0.763 . . . . 2.29 110.186 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.625 ' CE1' HG22 ' B' ' 6' ' ' ILE . 15.6 p-80 -139.8 80.84 20.39 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-O 120.926 0.393 . . . . 2.47 110.972 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.29 -27.24 28.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.579 2.186 . . . . 2.23 112.315 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 5.58 110.879 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 76.2 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.81 0.338 . . . . 5.51 110.938 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.6 -27.9 16.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.791 -0.719 . . . . 3.11 112.472 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.1 -103.81 1.74 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.688 -0.768 . . . . 1.66 112.581 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.04 13.87 24.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.712 0.291 . . . . 2.59 111.345 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.16 -28.93 19.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.521 . . . . 2.22 110.11 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.625 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.1 mt -82.05 -44.12 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.473 -0.785 . . . . 1.57 110.321 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -28.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.765 -0.652 . . . . 1.94 110.692 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -79.74 -43.35 22.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 2.22 110.083 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -60.16 -34.84 74.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.662 -0.699 . . . . 2.37 110.765 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.7 pt -72.49 -43.5 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 1.11 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.4 t70 -48.14 -34.56 10.06 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.382 0.611 . . . . 1.51 109.852 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 42.4 m-20 -67.99 -49.27 62.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 1.44 109.651 178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.743 HG22 HD11 ' B' ' 17' ' ' ILE . 40.0 mt -59.82 -48.18 88.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.772 -0.649 . . . . 0.55 110.43 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -32.77 8.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.338 -0.392 . . . . 1.32 111.088 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -75.19 -28.14 59.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.319 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' HD12 ' A' ' 20' ' ' LEU . 4.0 mm-40 -85.22 -35.61 21.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 2.03 110.903 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.0 mt -62.96 -32.95 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.778 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.49 -38.06 30.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.797 -0.638 . . . . 0.58 111.132 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -53.52 -42.9 67.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 1.58 110.992 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.738 HD11 HD11 ' A' ' 20' ' ' LEU . 12.2 mt -70.02 -50.27 43.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.9 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.89 -41.46 58.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.98 111.172 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.1 -34.61 78.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.62 111.159 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.475 ' HB3' HD13 ' A' ' 13' ' ' ILE . 1.5 mtpm? -68.71 -35.57 77.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 1.43 111.113 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.901 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.3 ttt-85 -72.03 -40.67 68.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 2.28 111.125 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.47 -53.96 43.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.75 111.403 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.407 ' CZ ' ' CD2' ' B' ' 27' ' ' LEU . 1.3 ptm180 -50.43 -42.57 54.15 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.898 0.38 . . . . 2.89 110.613 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.483 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.4 mm? -63.82 -36.03 82.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 1.38 110.01 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.901 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.0 t -65.16 -45.38 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.112 -0.495 . . . . 0.79 110.4 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.09 -33.41 26.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 2.33 109.969 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -71.47 -32.11 67.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.595 -0.73 . . . . 2.39 110.359 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 6' ' ' ILE . 50.0 p-80 -142.13 67.49 21.71 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.173 -0.467 . . . . 3.18 111.017 179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -84.27 -164.07 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.931 2.421 . . . . 2.31 112.152 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.211 -0.899 . . . . 5.81 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.364 . . . . 4.94 111.138 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.17 -138.95 0.83 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.762 -0.732 . . . . 3.04 112.509 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 53.76 31.41 46.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 1.84 112.021 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -118.07 -83.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.058 0.456 . . . . 2.71 111.129 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -146.63 -44.09 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 2.64 109.587 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.576 HG22 HD23 ' B' ' 27' ' ' LEU . 1.6 mt -66.44 -52.63 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.551 -0.749 . . . . 1.8 109.683 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -53.01 -34.51 56.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.132 -0.94 . . . . 2.15 111.041 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -77.21 -35.68 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 2.21 110.538 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.608 ' HE3' HD21 ' B' ' 27' ' ' LEU . 8.6 ttpt -57.93 -40.87 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 2.42 110.807 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.551 HG23 HD22 ' B' ' 27' ' ' LEU . 15.3 pt -69.61 -43.18 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.95 111.167 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -34.98 5.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.399 0.619 . . . . 1.48 109.998 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.9 -50.09 58.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.331 -0.849 . . . . 1.41 109.643 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -58.81 -47.75 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.698 -0.683 . . . . 0.48 110.425 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.64 -32.96 9.05 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.353 -0.385 . . . . 1.29 110.966 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.0 -28.09 60.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.11 110.361 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.4 mt-10 -85.77 -34.25 21.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 2.07 110.96 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.9 mt -64.4 -32.35 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.94 110.635 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -37.0 28.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.782 -0.645 . . . . 0.66 111.149 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -53.79 -43.41 69.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' B' ' 20' ' ' LEU . 7.8 mt -70.66 -50.79 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.63 110.954 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -52.4 -32.18 37.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.109 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.93 62.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.65 111.002 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -71.37 -32.44 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 1.53 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.9 ttt-85 -72.03 -40.61 68.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 2.89 111.037 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -57.69 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.321 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -48.38 -37.94 18.13 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.044 0.449 . . . . 2.54 110.601 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp -66.62 -40.07 88.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 1.35 109.708 178.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 24' ' ' ARG . 41.1 t -60.81 -45.3 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 CA-C-N 115.96 -0.564 . . . . 0.79 110.208 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -51.98 -33.69 39.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 2.23 109.655 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.35 -32.59 73.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.554 -0.748 . . . . 2.29 110.12 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.664 ' CE1' HG22 ' B' ' 6' ' ' ILE . 27.9 p-80 -136.12 75.92 52.58 Favored Pre-proline 0 C--N 1.333 -0.124 0 CA-C-N 116.348 -0.387 . . . . 2.47 110.908 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.67 -27.82 31.75 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.626 2.217 . . . . 2.23 112.336 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 5.58 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.821 0.343 . . . . 5.51 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.71 152.18 23.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.676 -0.774 . . . . 3.11 112.494 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.69 -118.46 9.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.669 -0.777 . . . . 1.66 112.525 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.26 13.29 19.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.655 0.264 . . . . 2.59 111.347 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -27.99 20.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 2.22 110.069 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.664 HG22 ' CE1' ' A' ' 31' ' ' HIS . 21.3 mt -79.02 -44.42 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 1.57 110.111 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -58.05 -29.91 65.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.566 -0.743 . . . . 1.94 110.757 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.08 -40.04 24.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.164 0.507 . . . . 2.22 110.075 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -35.05 75.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.671 -0.695 . . . . 2.37 110.72 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.511 HG23 HD23 ' A' ' 27' ' ' LEU . 17.2 pt -71.79 -43.74 69.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 1.11 111.225 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.66 -35.02 12.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.447 0.641 . . . . 1.51 109.795 179.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.5 OUTLIER -67.21 -46.57 73.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.315 -0.857 . . . . 1.44 109.49 178.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 34.2 mt -61.42 -47.46 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.582 -0.736 . . . . 0.55 110.298 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.11 -32.67 7.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.284 -0.417 . . . . 1.32 111.106 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -76.22 -29.04 57.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 1.19 110.43 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -84.59 -32.97 23.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.893 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -65.23 -34.99 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.663 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.25 -36.06 47.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.309 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.63 -47.83 72.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 1.58 110.787 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 20' ' ' LEU . 9.4 mt -63.73 -51.31 65.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.856 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -49.33 -30.38 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 1.98 111.126 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.82 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.62 111.015 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.493 ' HB2' HD13 ' A' ' 13' ' ' ILE . 6.0 mmtp -66.94 -31.52 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.43 111.011 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.88 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -74.72 -44.76 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.097 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -54.05 45.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.75 111.234 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.45 ' CD ' HD12 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -50.24 -43.67 53.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 2.89 110.512 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.608 HD21 ' HE3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.11 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.99 -0.55 . . . . 1.38 110.081 179.114 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.2 t -62.99 -46.12 97.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.173 -0.467 . . . . 0.79 110.425 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.82 -32.93 33.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.995 -0.548 . . . . 2.33 109.887 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -71.45 -29.86 65.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.584 -0.735 . . . . 2.39 110.403 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' A' ' 6' ' ' ILE . 52.8 p-80 -144.22 71.57 16.27 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.291 -0.413 . . . . 3.18 111.004 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.01 -29.39 18.0 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.466 2.111 . . . . 2.31 112.208 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.17 -0.919 . . . . 5.81 110.932 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.799 0.333 . . . . 4.94 111.191 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.23 25.99 3.43 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.715 -0.755 . . . . 3.04 112.55 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 58.21 25.59 57.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 1.84 112.7 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 61.27 18.47 9.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.753 0.311 . . . . 2.71 111.394 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -27.63 45.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.139 0.495 . . . . 2.64 110.123 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' B' ' 31' ' ' HIS . 21.0 mt -81.21 -46.1 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.571 -0.74 . . . . 1.8 110.287 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -56.05 -24.7 41.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.653 -0.703 . . . . 2.15 110.756 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -80.91 -40.83 24.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 2.21 110.139 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -36.01 79.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.767 -0.651 . . . . 2.42 110.696 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -70.59 -42.8 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.95 110.997 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -50.52 -34.33 24.91 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.339 0.59 . . . . 1.48 109.811 179.484 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -67.07 -46.06 75.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.304 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.2 mt -61.11 -46.37 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.508 -0.769 . . . . 0.48 110.134 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.94 -32.57 9.27 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.265 -0.425 . . . . 1.29 110.888 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.58 -28.34 58.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 1.11 110.35 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.01 -34.2 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.025 -0.534 . . . . 2.07 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -64.49 -33.12 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.105 -0.498 . . . . 0.94 110.727 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.42 -36.94 33.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 0.66 111.17 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.93 -42.9 69.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.79 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' B' ' 20' ' ' LEU . 8.0 mt -70.92 -49.87 41.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.63 110.932 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' HG2' HG21 ' B' ' 17' ' ' ILE . 0.0 OUTLIER -51.33 -38.27 52.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 1.99 111.217 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.88 -34.93 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.65 111.08 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.619 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -68.38 -34.47 76.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.078 -0.51 . . . . 1.53 110.99 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 ttt-85 -73.28 -43.32 61.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 2.89 111.194 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -55.44 23.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.218 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -43.29 39.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.049 0.452 . . . . 2.54 110.42 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD22 HG23 ' B' ' 6' ' ' ILE . 11.7 mt -62.56 -37.78 87.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.744 -0.662 . . . . 1.35 110.019 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 24' ' ' ARG . 37.0 t -64.25 -45.89 94.91 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 CA-C-N 116.025 -0.534 . . . . 0.79 110.194 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.93 -28.63 17.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 2.23 109.942 179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -75.5 -31.43 60.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.722 -0.672 . . . . 2.29 110.39 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' B' ' 6' ' ' ILE . 34.8 p-80 -138.84 63.7 32.62 Favored Pre-proline 0 CA--C 1.53 0.185 0 CA-C-N 116.326 -0.397 . . . . 2.47 111.032 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.06 -27.39 29.87 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.549 2.166 . . . . 2.23 112.397 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 5.58 110.856 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.81 0.338 . . . . 5.51 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.79 152.78 10.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 3.11 112.456 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.05 92.15 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 1.66 112.466 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 63.52 16.16 9.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.65 0.262 . . . . 2.59 111.349 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -28.47 48.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 2.22 109.972 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.5 mp -75.18 -46.78 38.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 1.57 110.335 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' HD11 ' B' ' 10' ' ' ILE . 3.8 tt0 -56.09 -27.42 53.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.69 -0.686 . . . . 1.94 110.769 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -42.67 32.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.469 . . . . 2.22 110.243 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -39.48 90.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.714 -0.675 . . . . 2.37 110.667 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' B' ' 11' ' ' ASP . 16.2 pt -69.32 -42.84 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.11 111.065 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.5 t70 -48.86 -34.83 13.34 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.451 0.643 . . . . 1.51 109.875 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 51.5 m-20 -67.02 -46.43 74.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.431 178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.693 HG22 HD11 ' B' ' 17' ' ' ILE . 33.1 mt -61.17 -47.04 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.596 -0.729 . . . . 0.55 110.346 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.3 -32.98 8.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.266 -0.425 . . . . 1.32 110.995 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.01 -28.79 57.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 1.19 110.446 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 12.8 mm-40 -84.32 -33.38 23.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 2.03 110.817 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.75 -34.07 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.007 -0.542 . . . . 1.06 110.671 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.93 -36.69 41.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.311 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -45.37 73.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 1.58 110.97 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.747 HD11 HD11 ' A' ' 20' ' ' LEU . 9.6 mt -67.38 -50.85 58.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.63 110.938 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -50.52 -36.41 34.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.98 111.157 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.45 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.62 110.863 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.635 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -68.77 -35.58 77.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 1.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -69.4 -43.14 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 2.28 111.141 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -56.16 18.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.307 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 7.0 ptp180 -49.64 -40.12 38.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.032 0.444 . . . . 2.89 110.516 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.476 ' N ' ' HG3' ' B' ' 26' ' ' ARG . 1.0 OUTLIER -65.6 -38.76 90.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.006 -0.543 . . . . 1.38 109.798 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.5 t -62.48 -45.64 98.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.065 -0.516 . . . . 0.79 110.128 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.94 -30.02 22.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 2.33 109.702 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -73.53 -31.59 63.76 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.505 179.166 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.622 ' CE1' HG22 ' A' ' 6' ' ' ILE . 34.5 p-80 -138.98 64.16 33.22 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.326 -0.397 . . . . 3.18 110.974 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -83.04 -29.75 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.7 2.267 . . . . 2.31 112.407 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.231 -0.89 . . . . 5.81 110.879 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 76.8 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.858 0.361 . . . . 4.94 111.19 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.26 -145.42 8.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.777 -0.725 . . . . 3.04 112.497 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.05 41.17 21.63 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.854 -0.689 . . . . 1.84 112.319 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.39 -84.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.471 . . . . 2.71 111.179 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -144.33 -44.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 2.64 109.595 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.564 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -64.8 -50.88 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 1.8 109.719 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.93 -35.44 58.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.226 -0.897 . . . . 2.15 111.099 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.09 -33.92 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 2.21 110.573 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -59.34 -41.09 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 2.42 110.97 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -69.24 -43.45 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.95 111.311 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 m-20 -47.99 -34.69 9.7 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.307 0.575 . . . . 1.48 109.978 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.1 t70 -67.41 -48.48 67.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 1.41 109.52 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 17' ' ' ILE . 35.4 mt -60.15 -48.51 87.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.62 -0.718 . . . . 0.48 110.365 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.0 -32.05 6.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.295 -0.411 . . . . 1.29 111.16 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -29.01 57.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 1.11 110.391 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.3 mt-10 -84.43 -35.49 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 2.07 110.916 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -63.52 -34.02 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 0.94 110.711 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.99 -36.23 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.67 -0.695 . . . . 0.66 111.348 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.02 -50.09 69.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.973 0.416 . . . . 1.79 110.688 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -61.55 -50.87 70.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.984 -0.553 . . . . 0.63 110.876 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.07 -31.85 8.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.188 -0.46 . . . . 1.99 110.928 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.73 -32.13 65.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.65 110.695 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.821 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.4 mmtp -66.0 -35.98 82.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 1.53 110.776 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.943 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 mtp180 -73.13 -46.19 52.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 2.89 111.31 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.74 -53.0 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.81 111.217 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.7 ptp180 -52.39 -44.58 65.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.033 -0.53 . . . . 2.54 110.514 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -66.69 -34.44 77.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.897 -0.592 . . . . 1.35 110.375 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 24' ' ' ARG . 46.3 t -62.51 -47.03 94.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.025 0.44 . . . . 0.79 110.098 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -52.14 -34.48 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.23 109.622 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -31.04 71.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.565 -0.743 . . . . 2.29 110.243 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.688 ' CE1' HG22 ' B' ' 6' ' ' ILE . 33.2 p-80 -147.24 83.59 7.73 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-N 116.266 -0.425 . . . . 2.47 110.984 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.4 -24.77 56.83 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.521 2.148 . . . . 2.23 112.371 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 5.58 110.997 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.863 0.364 . . . . 5.51 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.43 67.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 3.11 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.48 -162.64 54.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 1.66 112.449 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -95.73 13.84 25.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.666 0.269 . . . . 2.59 111.366 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -27.74 20.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.172 0.51 . . . . 2.22 110.101 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.688 HG22 ' CE1' ' A' ' 31' ' ' HIS . 24.8 mt -81.32 -44.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.376 -0.829 . . . . 1.57 110.338 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.39 -27.08 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.642 -0.708 . . . . 1.94 110.964 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -76.21 -39.44 54.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.092 0.472 . . . . 2.22 110.375 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -61.51 -38.0 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.836 -0.62 . . . . 2.37 110.887 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.426 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.0 pt -71.64 -43.33 70.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.26 -0.427 . . . . 1.11 111.227 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.426 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -49.56 -34.25 17.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.336 0.589 . . . . 1.51 109.914 179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.41 -48.74 66.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 1.44 109.527 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.723 HG22 HD11 ' B' ' 17' ' ' ILE . 20.4 mt -59.63 -47.84 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.548 -0.751 . . . . 0.55 110.407 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.6 t0 -48.6 -32.19 7.77 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.336 -0.393 . . . . 1.32 110.977 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -28.77 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.047 0.451 . . . . 1.19 110.313 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 16.3 mt-10 -85.08 -36.07 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 2.03 111.077 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -62.87 -33.11 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 1.06 110.765 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.58 -36.79 32.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 0.58 111.213 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -53.92 -44.74 70.86 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.817 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -68.71 -49.92 54.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.63 110.764 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -50.73 -34.01 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 1.98 111.034 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.48 -35.11 70.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.62 110.861 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.542 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.9 mtpt -68.03 -35.33 78.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.43 110.983 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.886 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -70.2 -42.76 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 2.28 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -53.09 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.75 111.212 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -50.19 -43.8 52.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.06 0.457 . . . . 2.89 110.606 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 23' ' ' LYS . 3.4 mm? -63.17 -35.55 80.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 1.38 110.103 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -65.51 -44.31 94.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.79 110.227 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -30.98 33.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.927 -0.579 . . . . 2.33 109.853 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -74.13 -30.68 62.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.672 -0.694 . . . . 2.39 110.303 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.7 p-80 -143.31 64.88 14.5 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-N 116.235 -0.439 . . . . 3.18 111.039 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -73.98 -39.19 1.84 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.63 2.22 . . . . 2.31 112.344 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.155 -0.926 . . . . 5.81 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.842 0.353 . . . . 4.94 111.161 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.22 68.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.664 -0.779 . . . . 3.04 112.473 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.79 -96.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 1.84 112.469 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.07 14.26 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 2.71 111.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.24 -27.83 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.248 0.547 . . . . 2.64 110.092 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.655 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.3 mt -80.68 -44.53 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 115.462 -0.79 . . . . 1.8 110.27 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.28 -30.98 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.57 -0.741 . . . . 2.15 110.788 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.32 -39.46 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 2.21 110.202 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -61.83 -36.59 81.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.635 -0.711 . . . . 2.42 110.734 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.6 pt -71.04 -43.5 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.95 111.102 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.44 -34.14 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.367 0.603 . . . . 1.48 109.827 179.529 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.5 m-20 -67.62 -46.62 71.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.333 -0.849 . . . . 1.41 109.481 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.744 HG22 HD11 ' A' ' 17' ' ' ILE . 35.7 mt -61.56 -48.15 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.67 -0.695 . . . . 0.48 110.381 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.22 -32.22 6.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.275 -0.421 . . . . 1.29 111.011 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.11 -29.23 57.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.084 -0.507 . . . . 1.11 110.396 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' HD12 ' B' ' 20' ' ' LEU . 2.7 mm-40 -84.57 -33.59 23.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 2.07 110.966 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.6 mt -64.83 -34.44 70.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.65 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.03 -36.55 40.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.755 -0.657 . . . . 0.66 111.27 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -45.2 71.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.86 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -67.41 -50.56 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.63 110.828 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -52.57 -30.96 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 1.99 111.141 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -33.4 64.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.65 111.055 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -69.47 -32.21 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.53 111.076 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.7 -45.14 65.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 2.89 111.039 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -54.54 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.81 111.115 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 12.7 ptm180 -50.92 -43.17 59.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.056 0.455 . . . . 2.54 110.464 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 4.7 mt -62.9 -36.09 82.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.958 -0.565 . . . . 1.35 110.019 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.9 t -66.11 -44.48 91.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.132 -0.485 . . . . 0.79 110.128 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.73 -29.84 20.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.907 -0.588 . . . . 2.23 110.016 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -75.9 -32.02 59.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.718 -0.674 . . . . 2.29 110.411 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' CE1' HG22 ' B' ' 6' ' ' ILE . 52.5 p-80 -139.04 61.1 19.71 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.316 -0.402 . . . . 2.47 111.063 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -80.07 -30.45 2.17 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.66 2.24 . . . . 2.23 112.397 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 5.58 110.86 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.83 0.348 . . . . 5.51 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.57 -106.16 1.6 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.783 -0.722 . . . . 3.11 112.515 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.23 45.09 21.06 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.852 -0.689 . . . . 1.66 112.262 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -129.47 -84.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.118 0.485 . . . . 2.59 111.059 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.29 -44.26 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.22 109.345 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.543 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mt -63.14 -48.71 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-N 115.6 -0.727 . . . . 1.57 109.77 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -30.05 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.225 -0.898 . . . . 1.94 111.063 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -79.06 -35.42 42.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.293 -0.412 . . . . 2.22 110.404 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -38.12 87.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.958 -0.565 . . . . 2.37 110.757 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' B' ' 11' ' ' ASP . 18.3 pt -70.96 -43.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.11 111.14 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' B' ' 10' ' ' ILE . 26.5 t0 -49.97 -34.46 20.95 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.356 0.598 . . . . 1.51 109.922 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.03 -47.58 70.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.421 -0.809 . . . . 1.44 109.311 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.709 HG22 HD11 ' B' ' 17' ' ' ILE . 18.4 mt -60.12 -46.73 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.411 -0.813 . . . . 0.55 110.216 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.919 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -48.57 -32.57 8.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.34 -0.391 . . . . 1.32 110.892 179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.6 -28.64 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 1.19 110.359 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.7 mt-10 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.921 -0.581 . . . . 2.03 111.02 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.919 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.57 -33.75 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.159 0.504 . . . . 1.06 110.713 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.78 -36.82 36.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.58 111.232 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.25 -44.97 72.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.871 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.777 HD11 HD11 ' A' ' 20' ' ' LEU . 6.0 mt -67.74 -51.18 52.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.488 . . . . 0.63 110.901 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -50.22 -31.76 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 1.98 111.154 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.92 -36.73 67.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.62 111.021 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -68.47 -31.14 70.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 1.43 111.049 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.864 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -73.15 -42.66 62.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 2.28 110.929 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -56.45 12.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.75 111.268 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.58 -40.28 26.77 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.976 0.417 . . . . 2.89 110.468 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 13' ' ' ILE . 18.9 mt -64.69 -39.23 93.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 1.38 109.84 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -62.41 -45.23 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.964 -0.562 . . . . 0.79 110.171 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -52.32 -31.3 32.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 2.33 109.731 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.631 -0.713 . . . . 2.39 110.168 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.655 ' CE1' HG22 ' A' ' 6' ' ' ILE . 28.4 p-80 -139.13 71.71 40.2 Favored Pre-proline 0 C--O 1.232 0.157 0 CA-C-N 116.306 -0.406 . . . . 3.18 111.001 179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.53 -26.25 16.94 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.618 2.212 . . . . 2.31 112.359 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.226 -0.892 . . . . 5.81 110.881 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.826 0.346 . . . . 4.94 111.189 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.63 37.68 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.701 -0.761 . . . . 3.04 112.489 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -153.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 1.84 112.43 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -91.24 11.58 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.627 0.251 . . . . 2.71 111.409 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -51.84 -30.09 22.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.243 0.544 . . . . 2.64 110.018 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.614 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.5 mt -76.39 -44.14 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.409 -0.814 . . . . 1.8 110.155 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -30.19 62.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.582 -0.736 . . . . 2.15 110.658 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -41.85 26.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 2.21 110.089 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -35.13 77.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.638 -0.71 . . . . 2.42 110.737 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 21.0 pt -71.55 -43.79 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.434 -0.348 . . . . 0.95 111.198 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 3.3 t0 -50.0 -34.8 22.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.39 0.614 . . . . 1.48 109.776 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.82 -46.39 75.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.302 -0.863 . . . . 1.41 109.497 178.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.676 HG22 HD11 ' A' ' 17' ' ' ILE . 27.3 mt -61.31 -47.25 94.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.539 -0.755 . . . . 0.48 110.313 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.5 t0 -48.17 -32.51 7.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.322 -0.399 . . . . 1.29 111.027 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.99 -29.08 58.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 1.11 110.39 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.7 mm-40 -84.5 -34.05 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 2.07 110.935 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -64.18 -34.99 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.082 -0.508 . . . . 0.94 110.663 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.57 -35.85 45.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.235 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.34 -47.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.339 -0.391 . . . . 1.79 110.862 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' B' ' 20' ' ' LEU . 7.6 mt -63.74 -53.11 56.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.63 110.895 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.92 -31.09 4.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.99 111.213 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.91 68.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.65 111.074 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 27' ' ' LEU . 7.3 mmtp -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.53 111.068 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.897 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -71.15 -42.78 68.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.319 -0.401 . . . . 2.89 111.211 -179.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -56.3 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.81 111.419 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.484 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.66 -37.13 27.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.922 0.391 . . . . 2.54 110.759 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.8 mp -69.0 -37.48 78.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 1.35 109.845 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.8 t -62.74 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.79 110.006 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.28 -31.53 44.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 2.23 109.675 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -71.02 -30.01 66.1 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.637 -0.71 . . . . 2.29 110.322 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.676 ' CE1' HG22 ' B' ' 6' ' ' ILE . 44.6 p-80 -144.77 67.66 14.02 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.351 -0.386 . . . . 2.47 111.093 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.96 52.34 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.769 2.312 . . . . 2.23 112.532 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.395 . . . . 5.58 110.908 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.347 . . . . 5.51 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.72 71.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.658 -0.782 . . . . 3.11 112.477 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.88 -96.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.694 -0.765 . . . . 1.66 112.453 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 14.18 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 2.59 111.355 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.35 -27.66 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.215 0.531 . . . . 2.22 110.036 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.676 HG22 ' CE1' ' A' ' 31' ' ' HIS . 21.2 mt -80.56 -45.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.374 -0.83 . . . . 1.57 110.261 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.27 -27.87 56.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.5 -0.773 . . . . 1.94 110.847 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.45 -37.87 42.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.065 0.459 . . . . 2.22 110.114 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -60.64 -37.92 83.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.758 -0.655 . . . . 2.37 110.787 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 16.4 pt -71.24 -43.38 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.306 -0.406 . . . . 1.11 111.209 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 24.3 t70 -48.18 -34.94 10.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.394 0.616 . . . . 1.51 109.843 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 5.6 t0 -68.3 -46.98 68.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.301 -0.863 . . . . 1.44 109.576 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.782 HG22 HD11 ' B' ' 17' ' ' ILE . 35.1 mt -60.69 -49.03 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.663 -0.699 . . . . 0.55 110.394 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.9 t70 -48.7 -32.17 7.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.35 -0.387 . . . . 1.32 111.077 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.41 -28.23 59.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.095 0.474 . . . . 1.19 110.377 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.49 -36.4 20.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.625 . . . . 2.03 110.914 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.2 mt -62.52 -32.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.53 . . . . 1.06 110.803 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.66 -38.43 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.824 -0.626 . . . . 0.58 111.249 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.48 -43.47 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.345 -0.389 . . . . 1.58 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.745 HD11 HD11 ' A' ' 20' ' ' LEU . 11.8 mt -69.64 -51.39 35.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.63 110.962 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -52.67 -33.95 49.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 1.98 111.12 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 -30.54 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.62 111.006 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 13' ' ' ILE . 21.5 mtpt -71.54 -33.64 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 1.43 111.149 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.85 -46.55 68.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.072 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -54.26 46.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.75 111.232 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.0 ptm180 -50.43 -44.87 55.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.074 0.464 . . . . 2.89 110.392 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.44 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.2 mp -61.48 -37.43 83.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.873 -0.603 . . . . 1.38 109.975 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -63.64 -45.44 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.2 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.96 -28.03 15.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.79 -0.641 . . . . 2.33 109.927 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -31.86 58.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.47 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' A' ' 6' ' ' ILE . 21.1 p-80 -136.59 61.24 35.99 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-O 120.911 0.386 . . . . 3.18 111.108 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 -33.77 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.59 2.193 . . . . 2.31 112.413 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.212 -0.899 . . . . 5.81 110.882 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.782 0.325 . . . . 4.94 111.246 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.31 -41.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 3.04 112.424 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.28 -125.81 7.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 1.84 112.483 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -94.03 15.35 17.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.688 0.28 . . . . 2.71 111.408 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -53.44 -27.92 27.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.181 0.515 . . . . 2.64 110.102 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.629 HG22 ' CE1' ' B' ' 31' ' ' HIS . 23.4 mt -81.79 -44.98 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.461 -0.791 . . . . 1.8 110.279 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -55.82 -28.77 57.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.71 -0.677 . . . . 2.15 110.767 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -77.1 -38.9 51.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 2.21 110.213 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.515 ' HE2' HD21 ' B' ' 27' ' ' LEU . 11.8 ttpt -63.18 -37.31 86.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.665 . . . . 2.42 110.822 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.6 pt -71.73 -43.27 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.216 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.4 t70 -50.72 -33.93 24.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.406 0.622 . . . . 1.48 109.977 179.628 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -67.31 -47.34 70.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.357 -0.838 . . . . 1.41 109.249 178.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 HG22 HD11 ' A' ' 17' ' ' ILE . 20.8 mt -60.09 -45.87 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.411 -0.813 . . . . 0.48 110.226 178.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.923 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.271 -0.422 . . . . 1.29 111.002 179.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.6 -28.29 60.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 1.11 110.407 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 13.2 mt-10 -85.27 -34.04 22.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.901 -0.59 . . . . 2.07 110.988 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.923 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.41 -32.25 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.132 0.492 . . . . 0.94 110.812 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.51 30.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 0.66 111.187 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.18 -43.46 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.27 -0.423 . . . . 1.79 110.98 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -68.68 -54.66 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.056 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -50.78 -34.49 27.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 1.99 111.211 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 -28.36 61.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.256 -0.429 . . . . 0.65 111.024 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.4 mtpm? -73.17 -33.76 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 1.53 111.212 -179.883 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.89 -44.91 72.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 2.89 111.177 -179.801 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -55.43 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.81 111.351 -179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -49.58 -43.05 45.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.019 0.437 . . . . 2.54 110.491 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD21 ' HD2' ' B' ' 9' ' ' LYS . 5.4 mp -63.66 -37.9 89.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.35 110.096 179.192 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.4 t -61.06 -46.4 96.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.183 -0.462 . . . . 0.79 110.28 179.318 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.99 -32.21 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 2.23 109.639 179.017 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -69.97 -30.77 68.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.61 -0.723 . . . . 2.29 110.374 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.672 ' HB3' HD13 ' B' ' 6' ' ' ILE . 24.1 p-80 -137.81 72.93 47.86 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-O 120.861 0.362 . . . . 2.47 111.043 179.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.84 -167.65 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.524 2.149 . . . . 2.23 112.247 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 5.58 110.915 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.862 0.363 . . . . 5.51 110.908 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.58 102.35 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.813 -0.708 . . . . 3.11 112.507 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.8 -163.11 0.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.792 -0.718 . . . . 1.66 112.495 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.67 14.91 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.68 0.276 . . . . 2.59 111.397 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.68 -29.98 29.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.137 0.494 . . . . 2.22 109.992 179.674 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 31' ' ' HIS . 2.1 mt -78.89 -45.15 24.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.496 -0.775 . . . . 1.57 110.369 179.208 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -55.07 -31.49 61.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.598 -0.728 . . . . 1.94 110.637 179.448 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -77.44 -39.61 46.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.962 -0.563 . . . . 2.22 110.07 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.606 ' HD2' HD21 ' A' ' 27' ' ' LEU . 3.6 ttmt -62.8 -38.81 92.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.676 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.45 HG23 HD23 ' A' ' 27' ' ' LEU . 19.7 pt -70.59 -43.21 77.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 1.11 111.092 179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.415 ' N ' HG13 ' B' ' 10' ' ' ILE . 32.8 t0 -49.27 -34.85 16.22 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.406 0.622 . . . . 1.51 109.822 179.588 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.29 -46.19 74.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.376 -0.829 . . . . 1.44 109.331 178.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.545 HG22 HD11 ' B' ' 17' ' ' ILE . 19.3 mt -60.18 -45.04 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.55 110.202 178.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.2 t0 -49.28 -34.15 14.63 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.263 -0.426 . . . . 1.32 110.907 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -28.16 61.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.155 -0.475 . . . . 1.19 110.325 179.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.9 mt-10 -84.85 -34.36 22.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 2.03 111.039 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -64.24 -32.07 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 1.06 110.75 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.34 -38.81 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.274 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -54.2 -43.57 70.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.253 -0.431 . . . . 1.58 110.993 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 20' ' ' LEU . 11.2 mt -68.42 -53.07 26.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.63 111.064 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.18 -35.58 36.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.98 111.348 -179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.17 64.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.078 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.749 ' O ' HD12 ' B' ' 27' ' ' LEU . 16.9 mtpt -71.62 -33.51 69.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.43 111.236 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.63 -43.55 68.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.353 -0.385 . . . . 2.28 111.271 -179.797 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -57.6 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.75 111.164 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 2.1 ptp180 -49.08 -35.87 17.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.089 0.471 . . . . 2.89 110.621 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.749 HD12 ' O ' ' B' ' 23' ' ' LYS . 4.3 mt -70.54 -39.62 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 1.38 109.97 179.129 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' B' ' 24' ' ' ARG . 35.4 t -60.9 -45.71 97.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.054 -0.521 . . . . 0.79 110.145 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.23 -34.89 59.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.8 -0.636 . . . . 2.33 109.516 178.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -65.53 -30.49 71.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.598 -0.728 . . . . 2.39 110.24 178.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' A' ' 6' ' ' ILE . 33.9 p-80 -142.0 77.27 18.58 Favored Pre-proline 0 C--N 1.334 -0.107 0 CA-C-N 116.301 -0.409 . . . . 3.18 110.971 179.49 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.25 -27.85 19.24 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.533 2.155 . . . . 2.31 112.323 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.22 -0.895 . . . . 5.81 110.872 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 4.94 111.226 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.17 141.57 7.81 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.719 -0.753 . . . . 3.04 112.534 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.91 91.75 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 1.84 112.399 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.76 15.88 9.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.748 0.309 . . . . 2.71 111.443 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -55.11 -26.22 36.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.528 . . . . 2.64 110.147 179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.664 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.4 mt -79.09 -45.67 24.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.564 -0.743 . . . . 1.8 110.36 179.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -56.18 -26.58 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.519 -0.764 . . . . 2.15 110.879 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -38.77 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.063 0.459 . . . . 2.21 110.186 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HE3' HD11 ' B' ' 27' ' ' LEU . 5.9 ttmm -59.67 -39.11 83.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.756 -0.656 . . . . 2.42 110.914 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.02 -43.19 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.95 111.14 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -47.96 -34.86 9.83 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.281 0.562 . . . . 1.48 109.939 179.54 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.58 -49.57 62.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.366 -0.834 . . . . 1.41 109.644 178.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' A' ' 17' ' ' ILE . 36.8 mt -59.4 -47.77 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.755 -0.657 . . . . 0.48 110.456 179.016 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.931 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.51 -32.8 8.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.089 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -75.1 -28.52 60.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 1.11 110.405 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.1 mt-10 -85.08 -35.05 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.86 -0.609 . . . . 2.07 110.925 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.0 mt -63.31 -33.0 58.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.94 110.682 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 -37.74 31.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.795 -0.639 . . . . 0.66 111.186 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -42.7 68.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 1.79 110.951 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' B' ' 20' ' ' LEU . 11.2 mt -70.68 -50.59 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.63 110.925 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -48.81 -43.59 38.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 1.99 111.264 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.29 -38.94 93.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.503 . . . . 0.65 110.868 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.801 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -60.35 -35.12 74.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.002 -0.545 . . . . 1.53 110.916 179.857 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.914 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -73.34 -43.83 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 2.89 111.163 -179.895 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -56.67 14.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.247 -179.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.613 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.22 -40.69 48.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.987 0.422 . . . . 2.54 110.488 -179.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -64.71 -37.66 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 1.35 109.832 178.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 24' ' ' ARG . 44.1 t -62.27 -44.7 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.067 179.204 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -52.32 -31.57 33.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.837 -0.62 . . . . 2.23 109.728 178.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -72.13 -30.54 65.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.529 -0.759 . . . . 2.29 110.391 179.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.66 ' CE1' HG22 ' B' ' 6' ' ' ILE . 32.4 p-80 -142.35 67.99 20.98 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-N 116.327 -0.397 . . . . 2.47 111.01 179.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.58 -28.36 11.98 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.586 2.191 . . . . 2.23 112.355 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 5.58 110.906 179.968 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.821 0.343 . . . . 5.51 110.903 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.01 62.7 4.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.789 -0.72 . . . . 3.11 112.515 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.22 71.28 2.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.729 . . . . 1.66 112.519 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.03 17.89 9.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.759 0.314 . . . . 2.59 111.417 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -55.49 -26.02 40.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.154 0.502 . . . . 2.22 110.159 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.66 HG22 ' CE1' ' A' ' 31' ' ' HIS . 19.0 mt -82.27 -46.14 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.471 -0.786 . . . . 1.57 110.397 179.439 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -30.5 64.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 1.94 110.841 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.97 -39.18 35.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.082 0.468 . . . . 2.22 110.335 179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -37.92 84.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 2.37 110.725 179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -70.53 -42.79 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 1.11 111.211 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.9 -34.68 21.02 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.405 0.622 . . . . 1.51 109.892 179.58 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.64 -46.99 73.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.305 -0.861 . . . . 1.44 109.272 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.8 mt -60.4 -46.41 95.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.421 -0.809 . . . . 0.55 110.216 178.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 10.8 t0 -48.27 -33.14 8.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.298 -0.41 . . . . 1.32 110.996 179.631 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -75.16 -29.15 60.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 1.19 110.359 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.4 mt-10 -84.44 -34.27 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.857 -0.611 . . . . 2.03 111.062 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -64.36 -32.89 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 1.06 110.768 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.7 -37.43 35.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.785 -0.643 . . . . 0.58 111.272 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.25 -45.14 72.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.58 110.926 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.728 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -67.91 -50.97 53.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.63 110.938 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.09 -32.31 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.091 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.61 66.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.62 110.981 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 27' ' ' LEU . 44.1 mttt -69.47 -35.67 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.43 111.059 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.898 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.93 -44.72 72.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 2.28 111.055 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -53.51 54.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.75 111.272 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.3 ptp180 -50.2 -42.31 51.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 2.89 110.624 -179.748 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 6' ' ' ILE . 3.4 mm? -65.53 -36.29 83.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.954 -0.567 . . . . 1.38 110.058 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.898 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.3 t -64.83 -44.46 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.206 -0.452 . . . . 0.79 110.113 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -52.03 -33.27 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 2.33 109.754 179.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -68.68 -34.13 75.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.632 -0.713 . . . . 2.39 110.129 178.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.664 ' CE1' HG22 ' A' ' 6' ' ' ILE . 44.7 p-80 -138.35 73.55 43.05 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 3.18 110.97 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.98 -28.36 9.27 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.53 2.153 . . . . 2.31 112.339 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.229 -0.891 . . . . 5.81 110.905 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.809 0.338 . . . . 4.94 111.185 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.51 128.15 5.69 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.788 -0.72 . . . . 3.04 112.511 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.04 -131.02 2.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.683 -0.77 . . . . 1.84 112.53 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -93.31 14.14 19.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 2.71 111.385 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -52.84 -27.9 20.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.195 0.521 . . . . 2.64 110.059 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.628 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.0 mt -80.8 -45.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.499 -0.773 . . . . 1.8 110.347 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -29.81 63.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.631 -0.713 . . . . 2.15 110.812 179.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -79.77 -41.19 27.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 2.21 110.172 179.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.17 -34.29 76.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 2.42 110.713 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.7 pt -72.82 -43.44 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.95 111.269 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.2 t70 -50.39 -34.2 23.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.36 0.6 . . . . 1.48 109.863 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -67.3 -48.17 68.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.448 178.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 HD11 ' A' ' 17' ' ' ILE . 25.0 mt -59.63 -46.51 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.514 -0.766 . . . . 0.48 110.333 178.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.927 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t0 -48.28 -34.26 10.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.309 -0.405 . . . . 1.29 111.118 179.649 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.24 -28.7 61.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.11 110.397 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.2 mt-10 -85.07 -34.03 22.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.856 -0.611 . . . . 2.07 111.064 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.927 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.5 mt -64.33 -32.0 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.069 0.461 . . . . 0.94 110.789 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 -39.54 28.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.769 -0.651 . . . . 0.66 111.363 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -53.75 -43.58 69.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.313 -0.403 . . . . 1.79 111.046 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' B' ' 20' ' ' LEU . 10.7 mt -68.96 -54.21 16.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.63 111.142 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -52.84 -32.89 46.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 1.99 111.362 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.6 -29.43 62.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.65 111.181 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.94 -35.68 64.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.53 111.23 -179.782 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -66.08 -46.94 75.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.344 -0.389 . . . . 2.89 111.299 -179.665 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -56.84 16.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.81 110.983 -179.645 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.2 ptm180 -49.07 -39.76 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 2.54 110.4 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 23' ' ' LYS . 4.4 mt -67.33 -39.48 85.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.79 -0.641 . . . . 1.35 110.229 179.185 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 24' ' ' ARG . 26.3 t -61.36 -47.81 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.79 110.398 179.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -51.6 -33.4 32.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.003 -0.544 . . . . 2.23 109.716 179.065 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.05 -32.93 74.69 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.525 -0.761 . . . . 2.29 110.177 178.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.619 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.3 p-80 -136.72 84.93 25.53 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.892 179.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.43 -27.02 34.14 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.543 2.162 . . . . 2.23 112.254 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 5.58 110.909 179.988 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 5.51 110.904 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.66 -53.88 0.41 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.836 -0.697 . . . . 3.11 112.514 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.27 -142.34 22.98 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.741 -0.742 . . . . 1.66 112.542 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -92.78 13.27 20.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.612 0.244 . . . . 2.59 111.368 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -52.44 -28.62 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.195 0.521 . . . . 2.22 110.106 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 31' ' ' HIS . 23.6 mt -79.88 -44.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.426 -0.806 . . . . 1.57 110.409 179.198 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.13 -31.66 63.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.602 -0.726 . . . . 1.94 110.786 179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -77.19 -40.26 45.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.5 . . . . 2.22 110.274 179.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -63.41 -36.31 83.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.753 -0.658 . . . . 2.37 110.84 179.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.7 pt -72.11 -43.69 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 1.11 111.292 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.45 ' N ' HG13 ' B' ' 10' ' ' ILE . 6.7 m-20 -50.52 -34.35 24.97 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.417 0.627 . . . . 1.51 109.858 179.594 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -47.22 72.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.299 -0.864 . . . . 1.44 109.334 178.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 22.9 mt -60.25 -45.98 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.456 -0.793 . . . . 0.55 110.297 178.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.0 t0 -48.21 -34.12 9.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.275 -0.42 . . . . 1.32 110.966 179.723 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.65 -28.93 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 1.19 110.401 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -84.82 -33.13 22.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.856 -0.611 . . . . 2.03 111.02 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -65.15 -32.57 58.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 1.06 110.733 179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -38.29 33.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.58 111.306 -179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -44.18 72.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.28 -0.418 . . . . 1.58 110.959 -179.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.682 HD11 HD11 ' A' ' 20' ' ' LEU . 11.5 mt -67.98 -53.72 23.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.63 111.208 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -51.82 -34.12 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 1.98 111.351 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.97 -29.3 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 0.62 111.18 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.22 -35.11 66.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.43 111.205 -179.797 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.918 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.23 -47.36 68.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.372 -0.376 . . . . 2.28 111.321 -179.678 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.18 -54.53 44.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.75 111.274 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.23 -43.96 53.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 2.89 110.373 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.61 HD23 HG23 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -63.66 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.92 -0.582 . . . . 1.38 110.037 179.269 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.918 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -62.57 -46.39 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.79 110.306 179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -51.92 -29.95 22.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 2.33 109.784 179.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -72.48 -31.56 65.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.637 -0.71 . . . . 2.39 110.337 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.628 ' CE1' HG22 ' A' ' 6' ' ' ILE . 23.1 p-80 -137.74 69.26 51.84 Favored Pre-proline 0 CA--C 1.53 0.199 0 CA-C-N 116.341 -0.39 . . . . 3.18 110.979 179.512 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 -36.89 3.44 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.531 2.154 . . . . 2.31 112.304 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.207 -0.902 . . . . 5.81 110.865 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.777 0.323 . . . . 4.94 111.175 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.53 156.32 21.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.625 -0.798 . . . . 3.04 112.419 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.05 60.97 4.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.742 -0.742 . . . . 1.84 112.476 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 62.62 17.17 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.748 0.308 . . . . 2.71 111.41 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.26 -28.36 41.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.173 0.511 . . . . 2.64 110.162 179.568 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.751 HD12 ' HB3' ' B' ' 31' ' ' HIS . 23.1 mt -80.43 -45.78 21.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.425 -0.807 . . . . 1.8 110.276 179.334 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 10' ' ' ILE . 4.9 tt0 -55.15 -28.44 52.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.721 -0.672 . . . . 2.15 110.762 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -76.23 -42.22 46.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 2.21 110.38 179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -62.57 -40.87 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.79 -0.641 . . . . 2.42 110.796 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.442 HD11 ' HA ' ' A' ' 7' ' ' GLU . 18.0 pt -68.71 -42.63 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.134 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.4 t0 -50.31 -34.8 24.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.391 0.615 . . . . 1.48 109.873 179.584 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.64 -46.55 78.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.265 -0.88 . . . . 1.41 109.178 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 17' ' ' ILE . 29.9 mt -61.27 -45.59 98.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.259 -0.882 . . . . 0.48 110.156 178.846 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' A' ' 17' ' ' ILE . 12.6 t0 -47.51 -33.08 5.91 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.992 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.17 -30.05 57.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.108 -0.496 . . . . 1.11 110.366 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.1 mm-40 -84.26 -31.38 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 2.07 111.097 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.1 mt -66.46 -35.14 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.94 110.65 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -37.44 52.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.66 111.437 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.92 -45.19 71.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.953 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 4.8 mt -66.53 -51.13 59.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.63 111.023 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -50.78 -34.21 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 1.99 111.094 -179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.07 -35.18 74.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.65 110.958 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.671 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.02 -35.64 81.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.084 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -68.78 -44.16 74.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 2.89 111.319 -179.745 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -55.48 26.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.81 111.377 -179.431 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 2.3 ptt85 -49.57 -42.75 45.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.036 0.446 . . . . 2.54 110.565 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD23 HG23 ' B' ' 6' ' ' ILE . 0.2 OUTLIER -64.3 -37.69 88.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.933 -0.576 . . . . 1.35 110.089 179.211 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 24' ' ' ARG . 41.3 t -61.86 -45.5 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.262 -0.427 . . . . 0.79 110.217 179.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -52.19 -32.06 34.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.888 -0.596 . . . . 2.23 109.656 179.019 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -30.82 67.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.586 -0.734 . . . . 2.29 110.413 179.066 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.755 ' HB3' HD12 ' B' ' 6' ' ' ILE . 26.8 p-80 -138.57 72.04 43.74 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.893 0.378 . . . . 2.47 111.0 179.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.13 -29.24 10.05 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.554 2.169 . . . . 2.23 112.409 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 5.58 110.869 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 5.51 110.873 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.93 153.88 25.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 3.11 112.49 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.38 -94.94 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 1.66 112.525 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.85 14.8 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.734 0.302 . . . . 2.59 111.398 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -52.77 -30.24 31.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.161 0.505 . . . . 2.22 110.064 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.755 HD12 ' HB3' ' A' ' 31' ' ' HIS . 29.3 mt -78.53 -44.28 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.498 -0.774 . . . . 1.57 110.194 179.19 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.2 tt0 -54.93 -28.06 48.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.614 -0.721 . . . . 1.94 110.562 179.464 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -76.72 -40.81 47.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 2.22 110.106 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -61.87 -43.29 99.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.74 -0.664 . . . . 2.37 110.623 179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 15.5 pt -67.01 -42.58 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.11 111.007 179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.02 -34.88 14.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.34 0.59 . . . . 1.51 109.867 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.38 -46.75 75.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.389 -0.823 . . . . 1.44 109.231 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.684 HG22 HD11 ' B' ' 17' ' ' ILE . 26.2 mt -60.3 -45.58 96.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.424 -0.807 . . . . 0.55 109.947 178.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -49.11 -32.38 9.75 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.228 -0.442 . . . . 1.32 110.909 179.491 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -75.57 -28.45 58.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.19 110.295 179.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.0 mt-10 -85.37 -33.8 21.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.904 -0.589 . . . . 2.03 111.044 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -65.12 -32.63 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 1.06 110.698 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.85 -36.63 31.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.58 111.187 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.74 -44.45 69.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.284 -0.416 . . . . 1.58 110.81 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -69.86 -50.13 45.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.63 110.899 179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -55.33 -33.55 63.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.149 -179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.44 71.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.62 111.125 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.625 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.8 mtpt -70.67 -32.67 70.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 1.43 111.027 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.925 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.17 -45.75 69.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 2.28 111.132 -179.855 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -56.01 22.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.75 111.241 -179.445 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -49.26 -43.0 42.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.89 110.288 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.625 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.8 mt -62.55 -39.32 93.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.795 -0.639 . . . . 1.38 109.921 179.023 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.0 t -63.85 -44.29 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 116.14 -0.482 . . . . 0.79 110.152 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -52.1 -28.41 17.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 2.33 109.978 179.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -77.35 -30.83 54.07 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.678 -0.692 . . . . 2.39 110.54 179.258 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.751 ' HB3' HD12 ' A' ' 6' ' ' ILE . 29.9 p-80 -136.74 58.85 20.95 Favored Pre-proline 0 N--CA 1.462 0.158 0 CA-C-O 120.891 0.376 . . . . 3.18 111.068 179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -82.03 -36.75 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.655 2.237 . . . . 2.31 112.425 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.203 -0.903 . . . . 5.81 110.88 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.842 0.353 . . . . 4.94 111.165 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.42 -143.66 1.46 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.701 -0.761 . . . . 3.04 112.466 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.06 37.25 16.23 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.83 -0.7 . . . . 1.84 112.371 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -125.88 -84.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 2.71 111.056 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.31 -45.61 0.25 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 2.64 109.523 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.551 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.5 mt -63.96 -49.47 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.711 -0.677 . . . . 1.8 109.721 178.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.48 -28.96 33.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.261 -0.881 . . . . 2.15 111.099 179.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -78.64 -38.53 39.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.006 0.432 . . . . 2.21 110.369 179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -40.07 89.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.78 179.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.4 pt -68.44 -43.03 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.177 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 11.1 t0 -49.17 -34.53 14.7 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.344 0.592 . . . . 1.48 109.868 179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -66.62 -47.54 72.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.407 -0.815 . . . . 1.41 109.283 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.829 HD13 ' HB3' ' B' ' 23' ' ' LYS . 26.0 mt -59.76 -46.12 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.403 -0.817 . . . . 0.48 110.093 178.694 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.6 t0 -49.13 -31.89 9.01 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.222 -0.444 . . . . 1.29 110.908 179.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -29.04 59.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 1.11 110.287 179.461 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' O ' HD12 ' B' ' 20' ' ' LEU . 16.9 mt-10 -85.04 -34.04 22.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.795 -0.639 . . . . 2.07 111.031 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -65.12 -32.54 58.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.94 110.719 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.01 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.938 -0.573 . . . . 0.66 111.235 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -53.36 -44.21 68.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.937 0.398 . . . . 1.79 110.866 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' B' ' 20' ' ' LEU . 9.5 mt -69.97 -49.57 50.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.63 110.798 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -54.3 -34.96 62.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 1.99 111.025 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -33.88 73.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.65 111.014 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 mtpt -69.14 -32.97 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 1.53 110.952 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.07 -46.19 65.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 2.89 111.073 -179.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -55.83 27.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.81 111.041 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -49.32 -42.87 42.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 2.54 110.357 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 23' ' ' LYS . 2.5 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.69 -0.687 . . . . 1.35 110.115 179.176 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 24' ' ' ARG . 33.2 t -62.05 -46.12 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.187 -0.461 . . . . 0.79 110.218 179.324 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -51.94 -31.29 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.863 -0.608 . . . . 2.23 109.873 179.103 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -71.27 -31.15 67.15 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.61 -0.723 . . . . 2.29 110.376 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.59 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.9 p-80 -137.21 71.46 54.26 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 2.47 110.985 179.583 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.55 -22.73 37.96 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.592 2.195 . . . . 2.23 112.345 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 5.58 110.936 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.824 0.345 . . . . 5.51 110.919 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.14 167.75 13.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.761 . . . . 3.11 112.472 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.23 -106.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 1.66 112.493 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -128.13 13.46 6.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.688 0.28 . . . . 2.59 111.372 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.2 -29.63 23.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.25 0.547 . . . . 2.22 110.137 179.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.59 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -80.5 -43.38 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.421 -0.809 . . . . 1.57 110.245 179.268 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 1.3 tt0 -56.11 -29.15 60.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.664 -0.698 . . . . 1.94 110.766 179.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -76.98 -42.17 40.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.982 -0.554 . . . . 2.22 110.336 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -38.54 89.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 2.37 110.825 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.412 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.9 pt -69.82 -43.24 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 1.11 111.195 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.412 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -50.13 -34.71 23.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.377 0.608 . . . . 1.51 109.871 179.594 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.25 -46.66 76.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.322 -0.854 . . . . 1.44 109.239 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 26.0 mt -61.02 -46.05 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.168 178.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.928 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.06 -32.58 6.9 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.18 -0.464 . . . . 1.32 111.008 179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -76.24 -29.43 57.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 1.19 110.352 179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.7 mm-40 -84.53 -32.25 24.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 2.03 111.054 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.928 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.86 -34.61 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 1.06 110.674 179.892 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.08 -37.6 46.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.58 111.297 -179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -53.41 -43.64 68.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.397 -0.365 . . . . 1.58 110.996 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.793 HD11 HD11 ' A' ' 20' ' ' LEU . 7.2 mt -68.55 -50.07 54.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.496 . . . . 0.63 110.826 179.899 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -47.9 -41.53 24.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 1.98 111.076 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.85 98.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.62 110.71 179.639 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.829 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -58.33 -34.76 70.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 1.43 110.971 179.838 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.911 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -73.47 -45.6 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 2.28 111.185 -179.867 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -55.25 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.75 111.246 -179.533 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -43.17 55.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.996 0.426 . . . . 2.89 110.433 -179.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.459 HD13 ' O ' ' B' ' 23' ' ' LYS . 0.5 OUTLIER -62.51 -37.65 86.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.001 -0.545 . . . . 1.38 109.807 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' B' ' 24' ' ' ARG . 36.3 t -63.77 -44.58 98.3 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.113 -0.494 . . . . 0.79 110.126 179.23 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -30.0 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 2.33 109.868 179.131 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -31.62 60.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.635 -0.711 . . . . 2.39 110.47 179.235 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 6' ' ' ILE . 44.6 p-80 -139.13 60.57 17.9 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.306 -0.406 . . . . 3.18 110.97 179.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -82.93 -43.39 0.08 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.736 2.29 . . . . 2.31 112.499 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.234 -0.889 . . . . 5.81 110.898 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.825 0.345 . . . . 4.94 111.188 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.65 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 3.04 112.52 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.93 -94.09 0.6 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 1.84 112.551 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.76 15.12 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.68 0.276 . . . . 2.71 111.32 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -28.01 21.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.135 0.493 . . . . 2.64 110.097 179.639 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.602 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.9 mp -84.64 -44.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.43 -0.805 . . . . 1.8 110.37 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.3 tp10 -57.07 -23.83 49.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.582 -0.735 . . . . 2.15 110.999 179.705 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -78.5 -44.43 24.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.152 0.501 . . . . 2.21 110.364 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' HD2' HD21 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -60.11 -39.84 87.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.699 -0.682 . . . . 2.42 110.787 179.77 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 7' ' ' GLU . 13.2 pt -68.99 -42.38 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.341 -0.391 . . . . 0.95 111.147 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.36 -36.04 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.424 0.631 . . . . 1.48 109.698 179.553 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 5.3 m-20 -66.81 -44.23 81.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.28 -0.873 . . . . 1.41 109.168 178.596 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.689 HG22 HD11 ' A' ' 17' ' ' ILE . 10.4 mt -61.63 -48.89 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.268 178.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.877 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.0 t0 -47.76 -31.55 4.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.268 -0.424 . . . . 1.29 111.123 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -76.91 -28.88 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.11 110.462 179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' HD12 ' B' ' 20' ' ' LEU . 7.4 mm-40 -85.48 -35.58 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.027 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.877 HD12 ' HA ' ' A' ' 14' ' ' ASP . 8.7 mt -63.8 -34.02 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.618 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.68 -36.66 37.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.699 -0.682 . . . . 0.66 111.2 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -42.71 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.79 110.988 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' B' ' 20' ' ' LEU . 9.2 mt -71.06 -50.32 35.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.63 110.876 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -53.33 -40.26 64.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 1.99 110.971 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.96 73.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 0.65 110.861 179.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.3 mtpp -71.83 -33.11 68.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.53 110.8 179.839 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.848 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.5 ttt180 -74.49 -43.18 57.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 2.89 111.018 -179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -53.94 51.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.81 110.825 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -50.16 -43.56 52.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.15 -0.477 . . . . 2.54 110.174 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD22 HG23 ' B' ' 6' ' ' ILE . 11.8 mt -62.09 -38.51 89.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 1.35 109.894 179.027 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 24' ' ' ARG . 24.5 t -64.23 -45.09 97.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.022 -0.535 . . . . 0.79 110.24 179.274 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -52.89 -27.29 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.784 -0.643 . . . . 2.23 110.032 179.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.25 -30.77 54.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 2.29 110.482 179.275 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.689 ' HB3' HD12 ' B' ' 6' ' ' ILE . 27.6 p-80 -137.01 60.34 28.11 Favored Pre-proline 0 CA--C 1.53 0.2 0 CA-C-O 120.855 0.36 . . . . 2.47 111.083 179.639 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.66 -28.56 6.45 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.535 2.156 . . . . 2.23 112.388 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 5.58 110.921 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.821 0.343 . . . . 5.51 110.91 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.62 80.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.695 -0.764 . . . . 3.11 112.52 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.06 -84.69 1.28 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.692 -0.766 . . . . 1.66 112.515 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.94 13.66 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.311 . . . . 2.59 111.364 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -52.75 -29.47 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.151 0.5 . . . . 2.22 110.049 179.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 31' ' ' HIS . 30.9 mt -76.05 -44.68 37.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.442 -0.799 . . . . 1.57 110.192 179.072 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.438 ' HA ' HD11 ' B' ' 10' ' ' ILE . 1.5 tt0 -55.28 -28.17 51.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.577 -0.738 . . . . 1.94 110.735 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -76.49 -42.6 42.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 2.22 110.226 179.501 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.09 -40.72 96.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.702 -0.681 . . . . 2.37 110.798 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.1 pt -68.94 -42.84 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.364 -0.38 . . . . 1.11 111.146 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -48.99 -35.64 15.74 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.421 0.629 . . . . 1.51 109.732 179.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.7 m-20 -66.41 -43.86 84.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.204 -0.907 . . . . 1.44 109.192 178.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.67 HG22 HD11 ' B' ' 17' ' ' ILE . 13.1 mt -62.0 -48.48 88.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.434 -0.803 . . . . 0.55 110.243 178.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 7.0 t0 -47.5 -31.73 4.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.182 -0.463 . . . . 1.32 111.079 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.89 -29.94 55.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 1.19 110.509 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' B' ' 13' ' ' ILE . 11.2 mm-40 -84.49 -33.73 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.906 -0.588 . . . . 2.03 111.107 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -64.32 -36.46 77.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.068 -0.514 . . . . 1.06 110.603 179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.62 -36.56 51.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.697 -0.683 . . . . 0.58 111.319 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.77 -43.71 69.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.58 110.884 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 20' ' ' LEU . 5.5 mt -68.55 -50.69 49.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.63 111.014 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.18 -41.75 49.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 1.98 111.013 -179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.48 93.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.62 110.898 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -62.85 -34.58 77.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.959 179.844 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 14.6 ttt180 -75.85 -43.47 45.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.194 -179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -54.56 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 0.75 110.955 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 -43.74 60.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 2.89 110.374 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.492 HD21 ' HD2' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -62.29 -37.0 83.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 1.38 109.966 178.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.5 t -63.2 -44.86 99.53 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.006 -0.543 . . . . 0.79 110.235 179.261 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -31.01 28.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 2.33 109.683 179.009 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.86 -31.91 66.96 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.606 -0.724 . . . . 2.39 110.29 179.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.602 ' CE1' HG22 ' A' ' 6' ' ' ILE . 25.3 p-80 -138.22 70.24 47.88 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 116.27 -0.423 . . . . 3.18 111.038 179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -68.61 -16.34 42.35 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.557 2.171 . . . . 2.31 112.523 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.251 -0.88 . . . . 5.81 110.921 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.85 0.357 . . . . 4.94 111.167 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.27 -54.68 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.677 -0.773 . . . . 3.04 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.43 49.55 25.95 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.76 -0.734 . . . . 1.84 112.352 -179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -135.45 -84.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.071 0.462 . . . . 2.71 110.965 -179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.25 -43.77 0.29 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.745 -0.661 . . . . 2.64 109.512 179.631 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.797 ' CG2' HD12 ' B' ' 27' ' ' LEU . 2.2 mt -64.4 -50.39 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.622 -0.717 . . . . 1.8 109.758 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.18 -33.51 52.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.166 -0.924 . . . . 2.15 111.065 179.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -78.05 -36.15 48.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.024 0.44 . . . . 2.21 110.446 179.716 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -39.6 82.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 2.42 110.811 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.0 pt -70.07 -42.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.95 111.166 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.3 t70 -47.96 -34.68 9.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.411 0.624 . . . . 1.48 109.947 179.547 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.86 -48.88 64.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.369 -0.832 . . . . 1.41 109.492 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.739 HG22 HD11 ' A' ' 17' ' ' ILE . 38.6 mt -59.43 -47.41 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.48 110.313 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.8 t70 -48.74 -33.12 9.64 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.289 -0.414 . . . . 1.29 111.129 179.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -28.39 60.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.078 0.466 . . . . 1.11 110.351 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.0 mt-10 -85.35 -34.91 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.833 -0.621 . . . . 2.07 110.934 -179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.1 mt -63.76 -32.16 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.061 -0.518 . . . . 0.94 110.705 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.87 -38.08 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.792 -0.64 . . . . 0.66 111.243 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.92 -43.43 69.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.318 -0.401 . . . . 1.79 111.0 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' B' ' 20' ' ' LEU . 11.9 mt -69.59 -55.15 10.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.041 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -51.09 -33.28 25.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.49 . . . . 1.99 111.211 -179.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.081 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -73.83 -33.55 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 1.53 111.177 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.89 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -68.81 -45.37 71.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.371 . . . . 2.89 111.114 -179.828 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -56.34 19.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.114 -179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -49.13 -41.84 37.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.088 0.471 . . . . 2.54 110.359 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.657 HD22 HG23 ' B' ' 6' ' ' ILE . 15.3 mt -64.52 -39.07 93.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.803 -0.635 . . . . 1.35 110.109 179.103 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.4 t -61.01 -47.13 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.346 179.323 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -51.58 -32.14 27.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.932 -0.576 . . . . 2.23 109.845 179.051 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -69.35 -31.41 69.81 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.537 -0.756 . . . . 2.29 110.378 179.143 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.588 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.9 p-80 -137.49 73.25 49.43 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 116.298 -0.41 . . . . 2.47 111.088 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.99 -71.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.519 2.146 . . . . 2.23 112.304 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.142 -0.481 . . . . 5.58 110.864 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 5.51 110.883 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.14 95.81 2.06 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.721 -0.752 . . . . 3.11 112.508 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -95.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 1.66 112.486 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -137.68 14.2 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 2.59 111.394 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -52.02 -28.7 18.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.209 0.528 . . . . 2.22 110.102 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.657 HG23 HD22 ' A' ' 27' ' ' LEU . 3.4 mp -84.98 -43.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.471 -0.786 . . . . 1.57 110.386 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.416 ' HA ' HD11 ' B' ' 10' ' ' ILE . 2.2 tt0 -55.85 -29.39 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.67 -0.696 . . . . 1.94 110.693 179.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -77.22 -42.17 38.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.028 -0.533 . . . . 2.22 110.226 179.555 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -61.76 -38.54 88.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.822 -0.626 . . . . 2.37 110.746 179.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.417 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -70.19 -43.08 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 1.11 111.178 179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' B' ' 10' ' ' ILE . 8.1 t70 -49.74 -34.63 19.61 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 1.51 109.919 179.664 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.51 -46.15 73.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.349 -0.842 . . . . 1.44 109.288 178.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.534 HG22 HD11 ' B' ' 17' ' ' ILE . 16.2 mt -60.69 -44.99 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.454 -0.794 . . . . 0.55 110.166 178.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.964 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -49.31 -34.31 15.32 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 1.32 110.936 179.485 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.19 -28.16 61.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 1.19 110.306 179.48 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.8 mm-40 -84.81 -34.19 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 2.03 110.94 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.964 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.03 -32.57 57.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 1.06 110.629 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -37.96 33.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.58 111.267 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -54.84 -44.33 73.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.259 -0.428 . . . . 1.58 111.081 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.714 HD11 HD11 ' A' ' 20' ' ' LEU . 9.8 mt -68.06 -53.21 27.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.63 111.074 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -50.92 -30.34 14.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.212 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.8 -31.49 59.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.62 111.049 179.897 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.484 ' O ' HD23 ' B' ' 27' ' ' LEU . 28.1 mttm -72.87 -32.37 65.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 1.43 111.012 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.08 -40.67 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 2.28 111.191 -179.807 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -55.44 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.75 111.407 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 6.5 ptp85 -49.45 -41.69 40.89 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.971 0.415 . . . . 2.89 110.543 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.797 HD12 ' CG2' ' A' ' 6' ' ' ILE . 1.6 mm? -63.44 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.084 -0.507 . . . . 1.38 109.788 179.038 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.39 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.073 -0.512 . . . . 0.79 110.124 179.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -29.51 22.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.884 -0.598 . . . . 2.33 109.98 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -75.84 -30.1 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.48 179.186 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.528 ' CE1' HG22 ' A' ' 6' ' ' ILE . 51.7 p-80 -141.9 61.31 12.48 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.367 -0.379 . . . . 3.18 111.049 179.656 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.56 -39.57 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.655 2.237 . . . . 2.31 112.384 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.205 -0.902 . . . . 5.81 110.92 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.823 0.344 . . . . 4.94 111.148 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.25 -155.54 51.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.743 . . . . 3.04 112.439 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.55 39.09 15.1 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.882 -0.675 . . . . 1.84 112.296 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -123.69 -84.54 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 2.71 111.051 -179.315 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -142.94 -44.37 0.3 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 2.64 109.489 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -65.13 -51.85 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.65 -0.704 . . . . 1.8 109.65 178.723 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -34.47 63.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.169 -0.923 . . . . 2.15 111.0 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -78.36 -32.95 49.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 2.21 110.599 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -38.6 88.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.789 179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.437 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -70.94 -43.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.324 -0.398 . . . . 0.95 111.19 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.6 t0 -50.01 -34.48 21.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.376 0.608 . . . . 1.48 109.929 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -66.96 -46.71 73.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.38 -0.827 . . . . 1.41 109.231 178.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.665 HG22 HD11 ' A' ' 17' ' ' ILE . 24.0 mt -60.64 -47.15 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.487 -0.779 . . . . 0.48 110.219 178.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.933 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.32 -32.42 7.39 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.305 -0.407 . . . . 1.29 111.062 179.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -75.93 -28.94 58.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 1.11 110.397 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 18.7 mt-10 -84.66 -34.52 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 2.07 110.972 -179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -63.76 -34.72 69.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.94 110.715 179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -36.63 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.659 . . . . 0.66 111.292 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.02 -46.92 75.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.279 -0.419 . . . . 1.79 110.881 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' B' ' 20' ' ' LEU . 8.9 mt -64.89 -51.73 60.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.63 111.014 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -32.98 19.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 1.99 111.237 -179.731 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.37 -30.76 63.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.65 110.995 179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.9 mttp -70.37 -31.18 68.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 1.53 111.105 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.1 -48.09 38.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.428 -0.351 . . . . 2.89 111.212 -179.784 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -54.66 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.81 111.266 -179.606 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -44.79 51.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 2.54 110.412 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -62.69 -37.29 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 1.35 110.064 179.268 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.0 t -62.62 -43.94 98.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.297 -0.41 . . . . 0.79 110.116 179.218 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.06 -32.62 35.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.882 -0.599 . . . . 2.23 109.729 178.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -69.95 -32.01 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 2.29 110.284 179.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.8 p-80 -136.95 72.66 54.19 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-N 116.324 -0.398 . . . . 2.47 110.992 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.16 -32.59 8.29 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.624 2.216 . . . . 2.23 112.336 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.094 -0.503 . . . . 5.58 110.913 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.867 0.365 . . . . 5.51 110.853 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.88 -69.38 0.44 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.764 -0.731 . . . . 3.11 112.536 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.36 -154.4 37.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 1.66 112.477 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.48 13.98 20.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.672 0.272 . . . . 2.59 111.38 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -52.67 -29.56 27.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.183 0.516 . . . . 2.22 109.971 179.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.615 HG23 HD23 ' A' ' 27' ' ' LEU . 2.4 mp -78.35 -45.18 26.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.431 -0.804 . . . . 1.57 110.276 179.151 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.79 -28.65 57.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.567 -0.742 . . . . 1.94 110.743 179.513 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -78.32 -41.05 34.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.041 -0.527 . . . . 2.22 110.312 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.56 89.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.769 -0.651 . . . . 2.37 110.745 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.422 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.4 pt -69.55 -42.92 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.11 110.96 179.747 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.422 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.3 t0 -50.05 -34.34 21.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.393 0.616 . . . . 1.51 109.813 179.55 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -66.66 -46.28 76.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.168 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.683 HG22 HD11 ' B' ' 17' ' ' ILE . 29.7 mt -60.37 -45.89 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.333 -0.849 . . . . 0.55 110.122 178.786 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.89 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.2 t0 -48.84 -32.77 9.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.306 -0.407 . . . . 1.32 110.87 179.452 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -28.39 59.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.525 . . . . 1.19 110.368 179.528 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.3 mt-10 -85.44 -34.47 21.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 2.03 110.992 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.89 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -64.12 -33.35 61.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 1.06 110.655 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.59 -36.6 32.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.76 -0.654 . . . . 0.58 111.08 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.36 -44.19 71.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.805 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.755 HD11 HD11 ' A' ' 20' ' ' LEU . 6.7 mt -68.89 -50.71 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.63 110.851 179.79 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -52.24 -32.11 35.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.47 . . . . 1.98 111.031 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.32 -31.16 62.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.62 110.875 179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 13' ' ' ILE . 19.5 mttm -70.04 -31.87 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 1.43 111.019 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.15 -45.39 60.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.369 . . . . 2.28 111.001 -179.922 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.28 -54.08 48.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.75 111.284 -179.724 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -50.71 -44.73 58.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.079 0.466 . . . . 2.89 110.447 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.517 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.0 mm? -62.05 -36.25 81.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.869 -0.605 . . . . 1.38 110.068 179.155 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.5 t -64.46 -45.62 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.179 0 CA-C-N 116.16 -0.473 . . . . 0.79 110.291 179.261 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -29.87 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 2.33 109.987 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -75.39 -30.49 60.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.664 -0.698 . . . . 2.39 110.482 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.572 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.5 p-80 -142.69 61.9 11.8 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 3.18 111.085 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.48 -43.08 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.562 2.175 . . . . 2.31 112.419 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.246 -0.883 . . . . 5.81 110.927 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.78 0.324 . . . . 4.94 111.188 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.61 -112.64 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 3.04 112.476 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.26 57.16 5.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 1.84 112.493 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.64 17.12 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.696 0.284 . . . . 2.71 111.397 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.83 -27.16 40.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.106 0.479 . . . . 2.64 110.142 179.612 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.599 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.5 mt -80.15 -46.34 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.54 -0.755 . . . . 1.8 110.372 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.74 -29.97 60.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 2.15 110.706 179.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -78.36 -40.64 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.058 -0.519 . . . . 2.21 110.244 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -63.05 -36.48 83.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.762 -0.654 . . . . 2.42 110.76 179.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 11' ' ' ASP . 21.3 pt -71.6 -42.96 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.95 111.12 179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.2 t70 -51.11 -33.85 28.12 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 1.48 109.97 179.547 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.05 -46.9 72.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.332 -0.849 . . . . 1.41 109.3 178.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.68 HG22 HD11 ' A' ' 17' ' ' ILE . 26.3 mt -60.63 -45.94 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.48 110.167 178.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.929 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.0 t0 -48.45 -33.51 9.44 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.211 -0.45 . . . . 1.29 111.023 179.585 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.24 -28.85 60.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 1.11 110.333 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 19.4 mm-40 -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.556 . . . . 2.07 111.057 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -66.06 -32.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.771 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.81 -37.71 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.66 111.281 -179.69 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -53.98 -44.88 71.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.884 0.373 . . . . 1.79 110.879 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.21 -52.02 38.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.63 111.025 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG3' HG21 ' B' ' 17' ' ' ILE . 7.7 tt0 -52.64 -33.59 47.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.291 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.13 69.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.65 111.13 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -69.19 -34.87 75.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 1.53 111.154 -179.871 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -69.75 -46.06 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 2.89 111.267 -179.65 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -55.34 34.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.81 111.253 -179.605 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -50.23 -43.68 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 2.54 110.459 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD23 HG23 ' B' ' 10' ' ' ILE . 5.2 mp -63.44 -37.86 88.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.831 -0.622 . . . . 1.35 110.114 179.213 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 24' ' ' ARG . 41.9 t -61.31 -46.91 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.248 -0.433 . . . . 0.79 110.361 179.497 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -32.47 28.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 2.23 109.714 179.064 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HB3' HD13 ' B' ' 6' ' ' ILE . 1.0 OUTLIER -68.99 -31.74 70.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.565 -0.743 . . . . 2.29 110.343 179.155 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.615 ' HB3' HD12 ' B' ' 6' ' ' ILE . 18.8 p-80 -138.19 74.14 42.98 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.297 -0.41 . . . . 2.47 110.99 179.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.16 -27.38 41.63 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.578 2.185 . . . . 2.23 112.354 179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 5.58 110.932 179.9 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.829 0.347 . . . . 5.51 110.898 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.97 154.01 17.04 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.796 -0.716 . . . . 3.11 112.424 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.79 80.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 1.66 112.492 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.69 16.78 9.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.734 0.302 . . . . 2.59 111.412 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -54.18 -28.35 39.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.113 0.482 . . . . 2.22 110.142 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 31' ' ' HIS . 21.6 mt -79.99 -45.3 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.541 -0.754 . . . . 1.57 110.472 179.413 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.411 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -55.64 -32.44 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.734 -0.666 . . . . 1.94 110.704 179.627 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -76.01 -41.32 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.171 -0.468 . . . . 2.22 110.319 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.16 -38.1 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.767 -0.651 . . . . 2.37 110.844 179.721 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.492 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.8 pt -71.08 -43.64 75.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.385 -0.37 . . . . 1.11 111.162 179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.4 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.1 t0 -49.01 -35.0 14.34 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.388 0.613 . . . . 1.51 110.012 179.744 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.79 -48.57 68.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.406 -0.815 . . . . 1.44 109.463 178.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.662 HG22 HD11 ' B' ' 17' ' ' ILE . 29.4 mt -59.98 -44.59 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.471 -0.786 . . . . 0.55 110.17 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.3 t0 -48.6 -34.22 11.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.239 -0.437 . . . . 1.32 110.946 179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.55 -28.8 61.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 1.19 110.305 179.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.4 mm-40 -84.95 -32.8 22.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 2.03 111.07 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -65.95 -31.97 56.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 1.06 110.725 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.23 -38.09 31.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.857 -0.61 . . . . 0.58 111.227 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.61 -44.12 69.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.333 -0.394 . . . . 1.58 111.013 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -69.44 -52.39 27.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.63 110.959 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.2 -32.09 46.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.98 111.262 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -31.31 63.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.62 111.13 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -72.53 -32.62 66.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.43 111.299 -179.818 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.919 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.47 -47.17 64.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.353 -179.724 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -56.1 25.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 0.75 111.159 -179.527 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -49.59 -41.44 41.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.07 0.462 . . . . 2.89 110.276 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.515 HD12 HD12 ' A' ' 13' ' ' ILE . 27.8 mt -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.079 179.081 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.919 HG23 ' O ' ' B' ' 24' ' ' ARG . 21.5 t -64.57 -46.64 91.96 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-O 121.018 0.437 . . . . 0.79 110.393 179.313 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -50.67 -30.71 14.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 2.33 110.045 179.32 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -73.12 -33.47 65.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.753 -0.658 . . . . 2.39 110.466 179.282 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.599 ' CE1' HG22 ' A' ' 6' ' ' ILE . 30.5 p-80 -133.44 68.37 76.74 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-O 120.984 0.421 . . . . 3.18 111.128 179.519 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.38 -27.18 13.6 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.549 2.166 . . . . 2.31 112.326 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.287 -0.864 . . . . 5.81 110.904 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.879 0.371 . . . . 4.94 111.207 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.66 96.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.65 -0.786 . . . . 3.04 112.606 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 49.34 47.94 34.32 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.756 -0.735 . . . . 1.84 112.36 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -138.49 -83.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.984 0.421 . . . . 2.71 110.965 -179.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -145.46 -44.45 0.22 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.79 -0.641 . . . . 2.64 109.592 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.484 HD12 ' HB3' ' B' ' 31' ' ' HIS . 3.4 mt -63.82 -48.37 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.683 . . . . 1.8 109.897 178.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -49.71 -30.58 9.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.311 -0.859 . . . . 2.15 111.156 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -76.92 -36.12 56.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.09 0.471 . . . . 2.21 110.297 179.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD3' HD21 ' B' ' 27' ' ' LEU . 28.5 tttm -59.43 -42.06 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.767 -0.652 . . . . 2.42 110.76 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.8 pt -68.3 -43.01 84.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.95 111.222 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -48.15 -34.95 10.73 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.422 0.63 . . . . 1.48 109.962 179.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -46.85 71.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.32 -0.855 . . . . 1.41 109.424 178.719 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.729 HG22 HD11 ' A' ' 17' ' ' ILE . 17.9 mt -59.99 -48.23 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.349 178.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.917 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.1 t0 -48.73 -31.97 7.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.226 -0.443 . . . . 1.29 111.004 179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.6 -28.59 58.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.996 0.427 . . . . 1.11 110.282 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.5 mm-40 -85.31 -34.99 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.861 -0.609 . . . . 2.07 111.03 -179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.917 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.4 mt -64.29 -33.13 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.94 110.786 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -37.69 34.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 0.66 111.236 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.39 -44.22 68.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 1.79 110.825 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' B' ' 20' ' ' LEU . 7.7 mt -68.7 -50.13 53.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.63 110.914 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -51.52 -34.83 38.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.114 -0.494 . . . . 1.99 111.18 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.7 74.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.003 179.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB3' HD13 ' B' ' 13' ' ' ILE . 11.9 mtpp -66.05 -31.61 72.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 1.53 111.002 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -74.49 -46.01 42.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 2.89 111.12 -179.798 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -55.59 31.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.119 -179.624 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.47 -42.67 54.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.091 0.472 . . . . 2.54 110.403 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' CB ' ' CG2' ' B' ' 10' ' ' ILE . 16.9 mt -63.86 -36.72 84.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.112 179.139 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 24' ' ' ARG . 37.5 t -64.46 -46.19 93.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-N 116.134 -0.485 . . . . 0.79 110.337 179.202 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -51.49 -30.85 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 2.23 110.079 179.18 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -74.61 -30.22 61.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.676 -0.693 . . . . 2.29 110.501 179.317 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' B' ' 6' ' ' ILE . 47.1 p-80 -144.06 63.21 11.3 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 120.843 0.354 . . . . 2.47 111.03 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.56 -28.78 11.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.222 . . . . 2.23 112.346 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 5.58 110.842 -179.922 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.854 0.359 . . . . 5.51 110.858 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.75 -162.3 33.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 3.11 112.443 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 46.37 42.2 12.97 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.859 -0.686 . . . . 1.66 112.498 -179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -128.83 -84.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.098 0.475 . . . . 2.59 111.053 -179.381 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.19 -45.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 2.22 109.431 179.616 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.5 mt -63.35 -49.8 81.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-N 115.613 -0.721 . . . . 1.57 109.554 178.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -32.99 64.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.082 -0.963 . . . . 1.94 111.052 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -76.08 -34.87 59.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.286 -0.416 . . . . 2.22 110.399 179.731 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -38.55 91.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.919 -0.582 . . . . 2.37 110.811 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.428 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.8 pt -71.84 -43.37 69.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 1.11 111.238 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.5 m-20 -50.55 -34.06 24.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.341 0.591 . . . . 1.51 109.895 179.725 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.09 -47.77 70.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.326 178.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.719 HG22 HD11 ' B' ' 17' ' ' ILE . 20.6 mt -60.27 -46.92 94.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.419 -0.809 . . . . 0.55 110.293 178.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.0 t0 -48.18 -32.65 7.31 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.343 -0.389 . . . . 1.32 111.083 179.598 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -29.06 58.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 1.19 110.394 179.574 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 17.7 mt-10 -84.65 -34.84 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.979 -0.555 . . . . 2.03 111.041 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.3 mt -63.65 -34.66 69.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 1.06 110.698 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.56 43.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.768 -0.651 . . . . 0.58 111.36 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.8 -48.86 72.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 1.58 110.79 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.764 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -62.7 -51.77 65.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.63 110.979 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.81 -30.24 9.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.176 -0.465 . . . . 1.98 111.089 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.79 -33.22 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.62 110.834 179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.45 ' HB2' HD13 ' A' ' 13' ' ' ILE . 19.9 mmtt -66.96 -34.13 77.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 1.43 111.116 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 2.28 111.245 -179.711 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 -54.27 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.405 -0.362 . . . . 0.75 111.229 -179.622 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 9.0 ptt85 -51.3 -44.42 61.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 2.89 110.513 -179.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.504 HD21 ' HD3' ' A' ' 9' ' ' LYS . 2.1 mp -62.54 -35.87 80.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.013 -0.54 . . . . 1.38 110.079 179.148 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 41.4 t -64.28 -45.38 96.33 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.187 179.443 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.17 -30.51 27.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 2.33 109.978 179.19 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -75.27 -29.73 60.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.734 -0.666 . . . . 2.39 110.493 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.484 ' HB3' HD12 ' A' ' 6' ' ' ILE . 53.7 p-80 -141.89 63.0 15.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.339 -0.391 . . . . 3.18 111.043 179.708 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.18 -27.23 29.48 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.632 2.222 . . . . 2.31 112.323 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.203 -0.903 . . . . 5.81 110.866 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.783 0.325 . . . . 4.94 111.216 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.25 96.87 0.12 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 3.04 112.456 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.29 97.51 2.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 1.84 112.407 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 62.91 16.52 9.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 2.71 111.452 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -26.41 41.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.119 0.485 . . . . 2.64 110.204 179.642 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.827 HG23 HD22 ' B' ' 27' ' ' LEU . 23.3 mt -78.92 -45.18 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.575 -0.739 . . . . 1.8 110.361 179.465 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -57.28 -29.91 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.663 -0.698 . . . . 2.15 110.698 179.624 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -79.42 -38.48 34.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 2.21 110.206 179.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -37.19 84.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.74 -0.663 . . . . 2.42 110.672 179.798 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 11' ' ' ASP . 17.6 pt -70.42 -43.48 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.078 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.9 t0 -50.08 -34.39 21.59 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.382 0.61 . . . . 1.48 109.809 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.54 -46.79 74.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.344 -0.844 . . . . 1.41 109.368 178.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 mt -61.33 -46.29 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.125 178.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -48.39 -32.21 7.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.941 179.535 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -29.24 57.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 1.11 110.315 179.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.1 mm-40 -84.92 -32.14 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.576 . . . . 2.07 111.044 -179.871 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.9 mt -66.14 -34.75 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.106 0.479 . . . . 0.94 110.673 179.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -36.01 42.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.711 . . . . 0.66 111.186 -179.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -44.0 70.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 1.79 110.837 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' B' ' 20' ' ' LEU . 7.5 mt -68.83 -50.62 48.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.63 110.83 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -34.73 34.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 1.99 111.022 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.52 70.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.902 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.1 OUTLIER -66.97 -35.74 80.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 1.53 111.039 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.899 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -67.06 -46.71 73.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 2.89 111.101 -179.899 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -54.42 42.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.81 111.287 -179.616 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.7 ptm85 -50.53 -44.8 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.042 0.449 . . . . 2.54 110.375 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.8 -36.79 79.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.925 -0.58 . . . . 1.35 109.941 178.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.0 t -65.68 -43.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.066 -0.515 . . . . 0.79 110.159 179.193 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -28.89 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 2.23 109.933 179.041 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.34 -33.09 55.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 2.29 110.546 179.333 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.687 ' HB3' HD12 ' B' ' 6' ' ' ILE . 28.9 p-80 -133.15 59.63 43.28 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-N 116.379 -0.373 . . . . 2.47 111.077 179.637 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -77.9 174.62 12.28 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.638 2.225 . . . . 2.23 112.389 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.288 0 CA-C-N 116.15 -0.477 . . . . 5.58 111.476 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.826 0.346 . . . . 5.51 110.912 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.71 -53.22 0.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 3.11 112.441 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.41 -133.6 6.66 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.797 -0.716 . . . . 1.66 112.551 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -93.65 14.57 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.676 0.274 . . . . 2.59 111.345 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.03 -28.85 26.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.197 0.522 . . . . 2.22 110.029 179.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.687 HD12 ' HB3' ' A' ' 31' ' ' HIS . 25.7 mt -79.63 -44.72 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 115.471 -0.786 . . . . 1.57 110.372 179.228 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.402 ' HA ' ' CD1' ' B' ' 10' ' ' ILE . 2.5 tt0 -55.43 -28.66 55.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.635 -0.711 . . . . 1.94 110.636 179.492 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.53 -40.44 29.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.071 -0.513 . . . . 2.22 110.175 179.464 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -35.75 81.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.734 179.725 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.422 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 19.3 pt -70.99 -43.58 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 1.11 111.07 179.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.421 ' N ' HG13 ' B' ' 10' ' ' ILE . 77.7 m-20 -50.52 -34.57 25.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.398 0.618 . . . . 1.51 109.805 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.23 -45.8 79.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.261 -0.881 . . . . 1.44 109.163 178.691 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.673 HG22 HD11 ' B' ' 17' ' ' ILE . 35.5 mt -61.13 -46.32 96.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.401 -0.818 . . . . 0.55 110.099 178.851 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.905 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.4 t0 -48.32 -32.24 7.14 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.32 110.955 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -76.67 -28.74 56.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.488 179.562 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -84.74 -32.32 23.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 2.03 110.92 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.905 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -65.81 -35.17 74.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.075 -0.511 . . . . 1.06 110.626 179.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.16 -36.78 47.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.632 -0.713 . . . . 0.58 111.454 -179.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.86 -45.18 70.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 1.58 110.882 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.811 HD11 HD11 ' A' ' 20' ' ' LEU . 4.5 mt -66.67 -51.27 58.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.869 179.834 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -35.41 25.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.415 . . . . 1.98 111.157 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.55 74.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.62 110.993 179.768 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.559 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.8 mtpp -65.5 -33.13 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.006 -0.543 . . . . 1.43 111.043 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.5 mtp-105 -71.39 -44.7 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 2.28 111.185 -179.837 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.43 -55.48 30.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.75 111.052 -179.723 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -49.52 -42.09 42.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.024 0.44 . . . . 2.89 110.336 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.827 HD22 HG23 ' A' ' 6' ' ' ILE . 12.0 mt -64.51 -39.25 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.922 -0.581 . . . . 1.38 109.976 179.118 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 31.0 t -61.69 -42.48 94.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.79 110.226 179.311 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -35.0 59.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.877 -0.601 . . . . 2.33 109.655 179.168 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -67.9 -31.43 71.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.671 -0.695 . . . . 2.39 110.298 179.04 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.656 ' CE1' HG22 ' A' ' 6' ' ' ILE . 26.5 p-80 -137.83 81.27 28.7 Favored Pre-proline 0 C--N 1.333 -0.123 0 CA-C-N 116.304 -0.407 . . . . 3.18 111.058 179.437 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.06 -168.03 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.621 2.214 . . . . 2.31 112.258 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.176 -0.916 . . . . 5.81 110.925 -179.961 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.817 0.342 . . . . 4.94 111.199 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.78 -143.08 14.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 3.04 112.502 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.41 33.31 24.41 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.748 -0.739 . . . . 1.84 112.205 -179.766 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -119.47 -84.21 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 2.71 111.165 -179.388 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -144.75 -45.05 0.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 2.64 109.465 179.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.64 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.62 -52.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.654 -0.703 . . . . 1.8 109.541 178.719 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.25 -33.32 65.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.114 -0.948 . . . . 2.15 111.03 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -78.07 -36.34 48.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.199 -0.455 . . . . 2.21 110.69 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -40.16 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.037 -0.529 . . . . 2.42 110.772 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 HG23 HD13 ' B' ' 27' ' ' LEU . 17.5 pt -69.9 -42.84 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.301 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -50.06 -34.03 20.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.307 0.575 . . . . 1.48 110.039 179.768 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -47.22 70.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.436 -0.802 . . . . 1.41 109.276 178.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' B' ' 23' ' ' LYS . 29.1 mt -60.54 -46.8 94.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 0.48 110.238 178.899 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.54 -33.04 8.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.338 -0.392 . . . . 1.29 111.006 179.588 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.91 -28.7 60.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 1.11 110.341 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.2 mm-40 -85.13 -35.04 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.87 -0.605 . . . . 2.07 111.058 -179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -63.91 -32.02 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.94 110.802 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.84 -37.85 29.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.66 111.182 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.77 -43.35 69.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 1.79 110.893 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' B' ' 20' ' ' LEU . 11.7 mt -70.34 -53.32 17.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.63 110.899 179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.54 40.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.228 -179.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.65 -30.77 64.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.65 111.096 179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -74.24 -32.38 62.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.12 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.896 ' O ' HG23 ' A' ' 28' ' ' VAL . 3.1 ttt-85 -72.5 -41.29 66.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.135 -179.725 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -55.74 16.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.392 . . . . 0.81 111.38 -179.649 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -48.87 -42.83 37.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.076 0.465 . . . . 2.54 110.415 -179.818 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 HG23 ' B' ' 10' ' ' ILE . 4.8 mp -62.14 -38.91 90.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.816 -0.629 . . . . 1.35 109.868 178.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.1 t -62.79 -45.54 98.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.068 -0.515 . . . . 0.79 110.202 179.185 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -52.23 -28.13 17.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.85 -0.614 . . . . 2.23 109.91 178.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -76.23 -30.6 57.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.639 -0.709 . . . . 2.29 110.427 179.307 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.624 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.5 p-80 -137.71 62.84 37.11 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.859 0.361 . . . . 2.47 110.992 179.631 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.35 -28.51 10.34 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.652 2.235 . . . . 2.23 112.375 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 5.58 110.905 -179.978 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.813 0.339 . . . . 5.51 110.915 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.34 -155.95 6.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.687 -0.768 . . . . 3.11 112.477 -179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.02 -143.03 14.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 1.66 112.546 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.93 13.35 20.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.674 0.273 . . . . 2.59 111.378 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.74 -28.83 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 2.22 110.004 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' A' ' 31' ' ' HIS . 27.1 mt -78.1 -44.86 27.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.455 -0.793 . . . . 1.57 110.218 179.072 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.69 -29.2 62.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.542 -0.754 . . . . 1.94 110.796 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.9 -43.85 24.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.204 0.526 . . . . 2.22 110.27 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.44 -35.08 74.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.828 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.437 HG23 HD23 ' A' ' 27' ' ' LEU . 20.6 pt -71.85 -43.79 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.418 -0.356 . . . . 1.11 111.135 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.419 ' N ' HG13 ' B' ' 10' ' ' ILE . 5.9 t70 -48.86 -34.69 13.06 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.308 0.575 . . . . 1.51 109.738 179.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.02 -48.24 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 1.44 109.529 178.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.71 HG22 HD11 ' B' ' 17' ' ' ILE . 35.0 mt -60.16 -47.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.609 -0.723 . . . . 0.55 110.362 179.129 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.11 -33.4 8.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.934 0.397 . . . . 1.32 111.113 179.66 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.31 -29.05 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 1.19 110.38 179.643 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.4 mt-10 -84.5 -33.67 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 2.03 110.98 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.78 -32.92 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.758 179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.37 -38.12 35.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.771 -0.65 . . . . 0.58 111.401 -179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.29 -45.69 72.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.58 110.969 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -66.52 -52.07 49.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.973 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -34.53 19.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 1.98 111.171 -179.713 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.09 71.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.289 -0.414 . . . . 0.62 110.996 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.788 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -67.0 -32.85 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 1.43 111.121 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.922 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.7 OUTLIER -74.81 -48.07 27.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 2.28 111.206 -179.761 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -53.33 59.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.75 111.28 -179.574 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -45.73 63.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 2.89 110.457 -179.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 10' ' ' ILE . 8.9 mt -62.53 -34.95 77.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 1.38 110.165 179.243 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.922 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.1 t -65.43 -45.77 92.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.992 0.425 . . . . 0.79 110.298 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -51.14 -31.29 19.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.875 -0.602 . . . . 2.33 109.958 179.204 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -73.69 -32.22 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.432 179.188 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.64 ' CE1' HG22 ' A' ' 6' ' ' ILE . 48.5 p-80 -142.56 64.51 15.93 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 3.18 111.069 179.773 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 -38.68 1.11 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.57 2.18 . . . . 2.31 112.377 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.226 -0.892 . . . . 5.81 110.84 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.82 0.343 . . . . 4.94 111.176 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.81 172.8 47.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 3.04 112.499 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.45 37.98 10.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 1.84 112.465 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 62.65 17.07 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 2.71 111.448 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -28.4 43.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.137 0.494 . . . . 2.64 110.085 179.62 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.624 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.6 mp -78.52 -45.92 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.491 -0.777 . . . . 1.8 110.341 179.344 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.54 -24.85 34.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.61 -0.723 . . . . 2.15 110.907 179.647 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -78.34 -42.0 31.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 2.21 110.413 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -61.37 -37.12 82.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 2.42 110.887 179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 18.9 pt -70.68 -43.42 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.309 -0.405 . . . . 0.95 111.16 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 27.5 t0 -50.12 -34.49 22.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.371 0.605 . . . . 1.48 109.937 179.682 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.59 -47.72 71.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.409 -0.814 . . . . 1.41 109.335 178.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 17' ' ' ILE . 22.2 mt -60.63 -46.84 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.4 -0.818 . . . . 0.48 110.253 178.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.902 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.4 t0 -48.18 -32.28 6.84 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.307 -0.406 . . . . 1.29 111.074 179.559 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.04 -29.27 58.01 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.152 -0.476 . . . . 1.11 110.429 179.541 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -84.41 -34.07 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.909 -0.587 . . . . 2.07 111.077 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.902 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.7 mt -64.66 -34.58 70.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.079 -0.51 . . . . 0.94 110.797 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.45 -37.52 43.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.66 111.399 -179.757 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -53.7 -45.37 70.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 1.79 110.815 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -66.53 -50.68 62.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.63 111.001 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -49.92 -36.11 26.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.181 -0.463 . . . . 1.99 111.179 -179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.21 -36.49 79.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 0.65 110.936 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.795 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -63.43 -34.76 78.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.942 -0.572 . . . . 1.53 111.008 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -71.67 -46.63 58.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.289 -0.414 . . . . 2.89 111.206 -179.649 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -55.54 31.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.315 -179.521 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.794 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.19 -44.43 53.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 2.54 110.425 -179.774 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.794 HD12 ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -62.1 -37.68 85.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 1.35 109.957 179.085 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 24' ' ' ARG . 43.4 t -61.83 -44.32 98.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.983 0.42 . . . . 0.79 110.145 179.336 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -32.28 33.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 2.23 109.753 179.047 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -31.2 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 2.29 110.304 179.085 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' HB3' HD13 ' B' ' 6' ' ' ILE . 24.0 p-80 -137.6 71.32 51.59 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.37 -0.377 . . . . 2.47 110.978 179.6 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.53 60.33 5.79 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.607 2.204 . . . . 2.23 112.432 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 5.58 110.911 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.847 0.356 . . . . 5.51 110.841 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.68 69.85 0.39 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 3.11 112.478 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -96.58 42.71 2.17 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.748 . . . . 1.66 112.568 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 62.26 17.52 9.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 2.59 111.411 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.98 -29.99 45.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.113 0.483 . . . . 2.22 110.078 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.66 ' CG2' HD23 ' A' ' 27' ' ' LEU . 2.6 mt -81.01 -44.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.536 -0.756 . . . . 1.57 110.284 179.352 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.4 ' O ' HG13 ' B' ' 10' ' ' ILE . 11.5 tt0 -55.87 -26.04 45.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.659 -0.7 . . . . 1.94 110.849 179.628 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -79.0 -43.24 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.162 0.506 . . . . 2.22 110.246 179.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.19 -37.08 79.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.681 -0.69 . . . . 2.37 110.791 179.701 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.481 HG23 HD22 ' A' ' 27' ' ' LEU . 18.0 pt -69.88 -43.41 79.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.294 -0.412 . . . . 1.11 111.183 179.886 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.9 t70 -48.87 -35.07 13.91 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.394 0.616 . . . . 1.51 109.791 179.59 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.48 -47.93 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.366 -0.834 . . . . 1.44 109.437 178.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 23' ' ' LYS . 26.4 mt -60.1 -46.5 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.55 110.306 178.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.884 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.2 t0 -48.59 -32.2 7.77 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.261 -0.427 . . . . 1.32 110.944 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.73 -28.86 58.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 1.19 110.358 179.437 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.3 mt-10 -85.08 -34.09 22.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 2.03 111.08 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.1 mt -64.81 -33.87 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 1.06 110.678 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -36.06 37.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.781 -0.645 . . . . 0.58 111.198 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.21 -46.1 72.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 1.58 110.756 179.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.781 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.04 -49.76 64.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.726 179.755 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -51.71 -34.25 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.011 -179.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -35.58 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.62 110.997 179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.549 ' O ' HD12 ' B' ' 27' ' ' LEU . 3.2 mttp -65.83 -34.18 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.43 110.901 179.881 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.916 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -71.27 -44.72 64.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 2.28 111.057 -179.893 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -55.81 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.022 -179.674 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 1.8 ptp180 -49.93 -42.63 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 2.89 110.239 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.549 HD12 ' O ' ' B' ' 23' ' ' LYS . 7.5 mt -63.44 -38.81 92.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.827 -0.624 . . . . 1.38 109.976 179.081 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.916 HG23 ' O ' ' B' ' 24' ' ' ARG . 28.9 t -63.33 -45.54 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.79 110.159 179.213 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -51.83 -28.99 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 2.33 109.892 179.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -31.76 61.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.705 -0.68 . . . . 2.39 110.399 179.206 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.624 ' CE1' HG22 ' A' ' 6' ' ' ILE . 31.8 p-80 -140.94 61.73 15.33 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.286 -0.416 . . . . 3.18 111.002 179.596 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.99 -37.31 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.638 2.225 . . . . 2.31 112.443 -179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.275 -0.869 . . . . 5.81 110.945 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.776 0.322 . . . . 4.94 111.242 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -160.52 -42.79 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 3.04 112.532 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.62 44.84 30.05 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 120.768 -0.729 . . . . 1.84 112.285 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -132.94 -83.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.967 0.413 . . . . 2.71 111.047 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.13 -44.78 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.782 -0.644 . . . . 2.64 109.506 179.67 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.7 mt -63.53 -49.17 83.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.607 -0.724 . . . . 1.8 109.811 178.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -52.79 -26.66 15.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.265 -0.879 . . . . 2.15 111.085 179.745 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -80.56 -39.18 28.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 2.21 110.231 179.512 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -60.98 -35.53 77.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.775 -0.648 . . . . 2.42 110.709 179.63 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.589 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 25.8 pt -70.89 -44.18 76.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.95 111.223 179.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -49.84 -33.8 17.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.418 0.627 . . . . 1.48 109.868 179.541 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.24 -44.97 74.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.311 -0.858 . . . . 1.41 109.481 178.828 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.574 HG22 HD11 ' A' ' 17' ' ' ILE . 21.5 mt -61.96 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.48 110.414 179.086 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 10.0 t70 -48.03 -32.27 6.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.381 -0.372 . . . . 1.29 111.107 179.663 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.44 -28.39 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.11 110.253 179.474 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.7 mm-40 -85.19 -36.71 20.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.829 -0.623 . . . . 2.07 110.937 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.9 mt -60.79 -34.96 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.194 0.521 . . . . 0.94 110.528 179.751 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.4 35.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.66 111.217 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.44 73.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.79 110.808 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' B' ' 20' ' ' LEU . 8.4 mt -67.11 -50.9 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 0.63 110.863 179.821 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -50.53 -31.25 15.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 1.99 110.969 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.67 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.786 179.743 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -68.96 -35.75 77.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 1.53 110.856 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.889 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -69.12 -43.17 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 2.89 110.976 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -54.55 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.81 111.31 -179.872 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -49.13 -43.91 42.02 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.011 0.434 . . . . 2.54 110.473 -179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 1.7 mp -62.22 -38.28 88.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.624 . . . . 1.35 109.896 179.085 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.2 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.086 -0.507 . . . . 0.79 110.129 179.243 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.43 -31.28 33.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.885 -0.598 . . . . 2.23 109.784 178.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -72.42 -31.35 65.42 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.589 -0.732 . . . . 2.29 110.39 179.111 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' HB3' HD12 ' B' ' 6' ' ' ILE . 21.0 p-80 -137.82 69.34 51.24 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-N 116.351 -0.386 . . . . 2.47 110.969 179.509 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.44 -26.23 82.29 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.62 2.213 . . . . 2.23 112.364 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.318 -0.401 . . . . 5.58 110.923 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.344 . . . . 5.51 110.857 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.79 -133.21 11.68 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 3.11 112.46 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.24 -137.28 13.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 1.66 112.489 179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -118.62 14.69 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.71 0.29 . . . . 2.59 111.342 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.76 -29.57 27.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 2.22 110.079 179.617 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 31' ' ' HIS . 26.6 mt -80.08 -44.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.436 -0.802 . . . . 1.57 110.309 179.138 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' O ' HG13 ' B' ' 10' ' ' ILE . 5.1 tt0 -55.26 -27.72 48.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.549 -0.751 . . . . 1.94 110.688 179.51 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -79.06 -43.39 24.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 2.22 110.125 179.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.32 -36.36 77.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.626 -0.715 . . . . 2.37 110.808 179.682 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.7 pt -70.9 -43.61 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.359 -0.382 . . . . 1.11 111.068 179.852 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -48.35 -34.7 11.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.313 0.578 . . . . 1.51 109.817 179.574 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 3.0 m-20 -67.7 -47.35 69.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.274 -0.875 . . . . 1.44 109.619 178.816 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.586 HG22 HD11 ' B' ' 17' ' ' ILE . 32.6 mt -60.83 -48.07 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.55 110.343 179.124 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -48.61 -32.33 8.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 1.32 110.962 179.633 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.54 -28.7 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.089 -0.505 . . . . 1.19 110.324 179.567 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' LEU . 8.0 mm-40 -84.25 -34.49 23.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.826 -0.624 . . . . 2.03 110.836 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 13.7 mt -63.23 -35.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.997 -0.547 . . . . 1.06 110.619 179.765 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.76 -34.93 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.635 -0.712 . . . . 0.58 111.159 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -44.61 73.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.58 110.936 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.736 HD11 HD11 ' A' ' 20' ' ' LEU . 8.2 mt -68.2 -50.73 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.852 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -31.3 16.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 1.98 111.163 -179.869 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.05 -49.7 59.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.62 111.001 179.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.415 ' HA ' ' HG2' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -61.12 -33.37 73.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 1.43 110.931 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.8 tpt85 -64.8 -44.59 89.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 2.28 111.125 -179.883 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.37 -59.11 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.419 -0.355 . . . . 0.75 111.451 -179.721 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.415 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 1.2 ptm180 -47.57 -33.54 6.63 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.924 0.392 . . . . 2.89 110.563 -179.754 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' ILE . 10.1 mt -70.04 -40.99 74.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.992 -0.549 . . . . 1.38 109.773 178.843 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.6 t -60.83 -50.69 79.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.882 -0.599 . . . . 0.79 110.266 179.081 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.5 -30.01 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 2.33 109.877 179.19 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' A' ' 6' ' ' ILE . 36.6 tt0 -70.04 -29.97 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.717 -0.674 . . . . 2.39 110.308 179.212 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.471 ' CE1' HG22 ' A' ' 6' ' ' ILE . 56.3 p-80 -139.57 72.15 36.95 Favored Pre-proline 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 3.18 110.993 179.644 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.87 -167.74 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.648 2.232 . . . . 2.31 112.317 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 5.81 110.874 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.4 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.818 0.342 . . . . 4.94 111.218 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.09 -129.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 3.04 112.469 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.47 35.68 10.75 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.842 -0.695 . . . . 1.84 112.359 -179.784 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -122.77 -83.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.001 0.429 . . . . 2.71 111.054 -179.42 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -145.68 -45.12 0.21 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.896 -0.593 . . . . 2.64 109.584 179.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.558 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -64.86 -50.84 73.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 1.8 109.792 178.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.25 -33.86 43.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.135 -0.939 . . . . 2.15 111.062 179.796 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.78 -35.77 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.987 0.422 . . . . 2.21 110.518 179.769 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -61.15 -41.05 96.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 2.42 110.816 179.685 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG23 HD23 ' B' ' 27' ' ' LEU . 17.7 pt -70.35 -42.76 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.95 111.19 179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.95 -34.37 12.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.394 0.616 . . . . 1.48 110.027 179.549 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 79.7 m-20 -67.81 -47.96 67.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.327 -0.852 . . . . 1.41 109.444 178.776 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 18.6 mt -59.24 -48.14 87.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.537 -0.756 . . . . 0.48 110.346 178.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.903 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.5 t0 -48.88 -32.42 8.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.283 -0.417 . . . . 1.29 111.016 179.68 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.83 -28.33 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 1.11 110.35 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 14.7 mt-10 -85.52 -36.18 20.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.592 . . . . 2.07 111.056 -179.853 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.903 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.2 mt -63.11 -32.29 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.94 110.795 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.2 -38.32 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.66 111.237 -179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.59 -43.55 68.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 1.79 110.923 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' B' ' 20' ' ' LEU . 9.9 mt -69.42 -51.3 37.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.63 110.911 179.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -36.32 43.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 1.99 111.102 -179.864 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.33 -31.73 69.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.65 110.868 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -67.58 -35.26 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 1.53 111.025 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -69.26 -45.92 68.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 2.89 111.184 -179.828 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -56.61 14.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.81 111.238 -179.677 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.561 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.39 -43.48 44.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.116 0.484 . . . . 2.54 110.336 -179.934 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 ' CD ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -62.18 -38.31 88.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 1.35 110.021 179.075 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 24' ' ' ARG . 53.1 t -60.04 -46.65 93.99 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.104 -0.498 . . . . 0.79 110.219 179.35 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -52.0 -31.39 29.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.917 -0.583 . . . . 2.23 109.717 178.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -70.65 -30.59 67.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.52 -0.764 . . . . 2.29 110.447 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.606 ' CE1' HG22 ' B' ' 6' ' ' ILE . 25.6 p-80 -137.42 71.64 52.45 Favored Pre-proline 0 CA--C 1.528 0.133 0 CA-C-N 116.376 -0.374 . . . . 2.47 111.077 179.541 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.61 158.27 43.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.581 2.187 . . . . 2.23 112.379 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 116.114 -0.494 . . . . 5.58 111.631 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.793 0.33 . . . . 5.51 110.934 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.28 71.16 0.32 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 3.11 112.48 179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.05 -125.2 5.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 1.66 112.576 179.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.11 13.64 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.685 0.278 . . . . 2.59 111.401 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -29.43 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.202 0.525 . . . . 2.22 110.08 179.57 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.606 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.2 mp -79.51 -44.05 23.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.441 -0.8 . . . . 1.57 110.292 179.3 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.22 -27.16 53.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 1.94 110.757 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -80.85 -41.61 22.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 2.22 110.169 179.427 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.86 -34.81 76.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.68 -0.691 . . . . 2.37 110.692 179.656 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.471 HG23 HD23 ' A' ' 27' ' ' LEU . 18.6 pt -71.02 -43.84 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.375 . . . . 1.11 111.2 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' B' ' 10' ' ' ILE . 10.3 m-20 -49.89 -35.04 22.08 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.372 0.606 . . . . 1.51 109.697 179.476 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -45.69 80.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.203 -0.908 . . . . 1.44 109.129 178.679 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 23' ' ' LYS . 27.0 mt -61.31 -46.47 96.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.48 -0.782 . . . . 0.55 110.141 178.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.909 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.3 t0 -48.0 -32.49 6.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.32 -0.4 . . . . 1.32 111.0 179.588 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -29.5 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.19 110.37 179.582 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.9 mt-10 -84.11 -33.09 24.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 2.03 111.033 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.909 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -65.28 -34.82 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 1.06 110.79 179.826 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.12 48.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.644 -0.707 . . . . 0.58 111.256 -179.834 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.86 -48.69 72.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 1.58 110.781 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.712 HD11 HD11 ' A' ' 20' ' ' LEU . 9.2 mt -62.6 -51.75 66.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.63 110.918 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -48.81 -30.74 6.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 1.98 111.029 -179.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.83 -33.09 63.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.62 110.777 179.624 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.522 ' CB ' HD13 ' A' ' 13' ' ' ILE . 15.2 mmtp -66.42 -33.58 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.517 . . . . 1.43 111.005 179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.929 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.2 mtp180 -73.13 -46.67 49.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.439 -0.346 . . . . 2.28 111.236 -179.672 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -52.41 65.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.75 111.249 -179.586 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -51.8 -46.35 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 2.89 110.457 -179.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 10' ' ' ILE . 6.4 mp -63.08 -35.69 81.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 1.38 110.188 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 24' ' ' ARG . 42.1 t -62.6 -46.56 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.961 0.41 . . . . 0.79 110.234 179.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -51.95 -31.58 29.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.85 179.14 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.94 -30.11 64.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.629 -0.714 . . . . 2.39 110.485 179.141 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.558 ' CE1' HG22 ' A' ' 6' ' ' ILE . 35.9 p-80 -145.54 67.15 12.63 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-N 116.317 -0.401 . . . . 3.18 111.125 179.648 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.58 60.82 5.18 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.584 2.19 . . . . 2.31 112.435 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.274 -0.869 . . . . 5.81 110.919 179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.794 0.33 . . . . 4.94 111.181 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' HA3' ' HB2' ' A' ' 7' ' ' GLU . . . -84.81 -79.37 1.12 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.739 -0.743 . . . . 3.04 112.567 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.55 56.41 9.61 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.813 -0.708 . . . . 1.84 112.335 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -141.1 -83.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.027 0.442 . . . . 2.71 110.883 -179.251 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -142.9 -43.07 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.692 -0.685 . . . . 2.64 109.386 179.62 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.532 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.8 mt -64.82 -51.03 72.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.512 -0.767 . . . . 1.8 109.666 178.814 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' HB2' ' HA3' ' A' ' 2' ' ' GLY . 0.3 OUTLIER -52.17 -35.29 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.158 -0.928 . . . . 2.15 111.19 179.781 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -77.1 -31.72 56.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 2.21 110.594 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -40.41 93.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.978 -0.555 . . . . 2.42 110.797 179.833 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' B' ' 27' ' ' LEU . 17.4 pt -70.16 -43.16 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.95 111.252 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.31 -34.44 15.6 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.412 0.625 . . . . 1.48 110.041 179.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -68.02 -46.03 72.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.329 -0.85 . . . . 1.41 109.387 178.853 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' A' ' 17' ' ' ILE . 12.8 mt -60.77 -48.59 88.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.556 -0.747 . . . . 0.48 110.327 179.008 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.912 ' HA ' HD12 ' A' ' 17' ' ' ILE . 6.1 t0 -48.54 -32.13 7.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.38 -0.373 . . . . 1.29 110.992 179.615 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -28.46 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.11 110.358 179.619 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 7.4 mm-40 -85.54 -35.42 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 2.07 111.002 -179.714 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.912 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.0 mt -63.28 -33.98 64.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.94 110.628 179.921 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.82 34.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.66 111.195 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -45.14 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 1.79 110.845 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 9.3 mt -67.16 -51.18 57.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.054 -0.521 . . . . 0.63 110.807 179.843 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -49.7 -34.8 19.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 1.99 111.067 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.09 64.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.65 110.836 179.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' B' ' 13' ' ' ILE . 6.3 mttm -68.61 -31.2 70.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 1.53 111.007 179.904 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.885 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -72.63 -41.96 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 2.89 111.107 -179.83 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.459 HG22 HE22 ' A' ' 29' ' ' GLN . 0.2 OUTLIER -65.32 -56.6 11.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.81 111.453 -179.593 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' CD ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.12 -40.63 33.09 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.926 0.393 . . . . 2.54 110.467 -179.698 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD22 HG23 ' B' ' 10' ' ' ILE . 0.3 OUTLIER -63.63 -40.16 96.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 1.35 109.681 178.703 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 24' ' ' ARG . 36.7 t -61.76 -43.64 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.79 110.152 179.134 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.459 HE22 HG22 ' A' ' 25' ' ' THR . 0.6 OUTLIER -52.52 -29.84 27.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.794 -0.639 . . . . 2.23 109.859 179.076 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -75.93 -29.84 58.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.66 -0.7 . . . . 2.29 110.521 179.228 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.553 ' CE1' HG22 ' B' ' 6' ' ' ILE . 23.1 p-80 -139.19 60.32 17.07 Favored Pre-proline 0 CA--C 1.529 0.149 0 CA-C-N 116.348 -0.387 . . . . 2.47 111.056 179.782 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -81.69 -34.29 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.666 2.244 . . . . 2.23 112.392 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.088 -0.505 . . . . 5.58 110.877 -179.922 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.845 0.355 . . . . 5.51 110.912 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.59 -92.13 2.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 3.11 112.541 179.943 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 46.94 37.51 9.56 Favored Glycine 0 C--N 1.333 0.389 0 C-N-CA 120.852 -0.69 . . . . 1.66 112.192 -179.769 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -123.07 -84.78 0.66 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.14 0.495 . . . . 2.59 111.064 -179.248 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -141.46 -44.8 0.36 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.659 -0.7 . . . . 2.22 109.411 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.553 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -62.6 -48.16 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.57 109.871 178.756 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -32.84 54.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.324 -0.853 . . . . 1.94 111.025 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.29 -37.37 37.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 2.22 110.3 179.435 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -62.46 -37.52 86.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.635 . . . . 2.37 110.647 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.505 HG23 HD22 ' A' ' 27' ' ' LEU . 17.3 pt -70.94 -43.35 76.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 1.11 111.113 179.803 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.73 -34.69 19.69 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.45 0.643 . . . . 1.51 109.804 179.51 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -66.83 -45.71 77.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.271 -0.877 . . . . 1.44 109.198 178.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' B' ' 17' ' ' ILE . 21.9 mt -60.71 -47.45 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.478 -0.783 . . . . 0.55 110.2 178.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 5.5 t0 -48.57 -31.72 6.99 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.246 -0.434 . . . . 1.32 110.986 179.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.37 -28.86 56.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.19 110.346 179.562 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 16.7 mt-10 -84.77 -34.19 22.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 2.03 111.017 -179.844 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.41 -35.3 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 1.06 110.703 179.875 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.53 -35.58 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.682 -0.69 . . . . 0.58 111.234 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.8 -48.41 72.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.58 110.728 179.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 8.9 mt -62.95 -51.44 66.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.63 110.844 179.766 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -48.67 -31.46 6.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 1.98 110.959 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.55 -32.99 64.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.62 110.791 179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.855 ' O ' HD12 ' B' ' 27' ' ' LEU . 32.4 mmtt -66.61 -32.69 74.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 1.43 111.12 179.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 1.1 mtp180 -72.33 -46.88 53.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 2.28 111.21 -179.857 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.75 111.115 -179.698 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -51.94 -44.82 64.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 2.89 110.551 -179.842 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.855 HD12 ' O ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -63.52 -34.36 77.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.38 110.299 179.297 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.7 t -65.11 -46.6 90.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.207 179.282 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -30.21 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.874 -0.603 . . . . 2.33 109.933 179.101 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -73.53 -30.58 63.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 2.39 110.354 179.108 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.532 ' CE1' HG22 ' A' ' 6' ' ' ILE . 55.9 p-80 -144.88 64.47 11.34 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.22 -0.446 . . . . 3.18 111.002 179.729 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.97 -29.24 12.25 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.567 2.178 . . . . 2.31 112.361 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.195 -0.907 . . . . 5.81 110.916 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.8 0.333 . . . . 4.94 111.199 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.9 132.9 2.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 3.04 112.532 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.32 -131.36 24.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.665 -0.779 . . . . 1.84 112.474 -179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -93.1 14.09 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.683 0.278 . . . . 2.71 111.383 179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -28.18 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.192 0.52 . . . . 2.64 109.959 179.592 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.641 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.6 mp -78.66 -45.33 25.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.376 -0.829 . . . . 1.8 110.238 179.245 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' HG13 ' A' ' 10' ' ' ILE . 27.5 tt0 -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 2.15 111.015 179.775 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -77.37 -40.34 44.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.126 0.488 . . . . 2.21 110.175 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -61.05 -39.81 91.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.644 . . . . 2.42 110.706 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.522 HG23 HD23 ' B' ' 27' ' ' LEU . 16.4 pt -69.8 -42.96 80.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.245 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -48.48 -35.61 13.38 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.424 0.63 . . . . 1.48 109.774 179.612 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 10.4 t0 -67.23 -45.15 77.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.196 -0.911 . . . . 1.41 109.301 178.653 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.638 HG22 HD11 ' A' ' 17' ' ' ILE . 11.1 mt -60.62 -47.68 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 CA-C-N 115.433 -0.803 . . . . 0.48 110.318 178.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.889 ' HA ' HD12 ' A' ' 17' ' ' ILE . 8.4 t0 -47.73 -34.03 7.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.264 -0.425 . . . . 1.29 111.155 179.729 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -74.74 -28.74 60.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 1.11 110.439 179.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.0 mt-10 -85.86 -34.46 21.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.85 -0.614 . . . . 2.07 111.146 -179.805 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.8 mt -64.05 -31.87 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.94 110.659 179.88 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.77 -39.41 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.66 111.304 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.5 -43.36 68.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 1.79 111.005 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.58 -52.43 26.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.63 111.068 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -52.07 -33.84 41.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 1.99 111.225 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.27 -32.4 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.272 -0.422 . . . . 0.65 111.131 179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB3' HD13 ' B' ' 13' ' ' ILE . 1.2 mtpp -70.95 -32.41 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 1.53 111.113 -179.859 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -70.34 -47.09 62.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 2.89 111.19 -179.837 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -54.66 43.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.81 111.089 -179.621 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 15.6 ptp180 -50.37 -43.74 54.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.115 0.483 . . . . 2.54 110.32 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 HD12 ' B' ' 13' ' ' ILE . 22.4 mt -62.62 -37.27 85.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.837 -0.62 . . . . 1.35 110.057 179.069 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 24' ' ' ARG . 22.8 t -65.67 -44.93 93.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.094 -0.503 . . . . 0.79 110.227 179.273 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -51.07 -29.86 14.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.826 -0.624 . . . . 2.23 110.021 179.182 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.05 -33.44 61.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.75 -0.659 . . . . 2.29 110.34 179.21 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.4 p-80 -136.91 63.85 46.79 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.893 0.378 . . . . 2.47 111.073 179.618 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.03 173.9 12.14 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.585 2.19 . . . . 2.23 112.281 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 5.58 110.861 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.356 . . . . 5.51 110.904 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.4 54.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 3.11 112.517 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.29 -78.19 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 1.66 112.437 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.57 14.99 17.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.696 0.284 . . . . 2.59 111.298 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -53.03 -29.08 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 2.22 110.089 179.539 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.629 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.7 mt -79.62 -45.33 23.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.419 -0.809 . . . . 1.57 110.355 179.199 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.03 -30.14 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 1.94 110.719 179.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -39.58 41.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 2.22 110.183 179.482 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -63.11 -37.76 88.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.661 . . . . 2.37 110.643 179.592 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.443 HG13 ' N ' ' B' ' 11' ' ' ASP . 20.7 pt -71.32 -42.94 74.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.11 111.195 179.835 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.443 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -50.76 -34.1 25.91 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.378 0.608 . . . . 1.51 109.913 179.672 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.6 -46.43 72.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.321 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.698 HG22 HD11 ' B' ' 17' ' ' ILE . 20.7 mt -60.83 -46.9 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.469 -0.787 . . . . 0.55 110.214 179.007 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.918 ' HA ' HD12 ' B' ' 17' ' ' ILE . 12.5 t0 -48.44 -33.46 9.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 1.32 111.097 179.626 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -28.41 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.52 . . . . 1.19 110.445 179.54 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -85.45 -34.01 21.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.919 -0.582 . . . . 2.03 111.04 -179.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.07 -33.84 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.606 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.12 -39.11 34.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.795 -0.638 . . . . 0.58 111.219 -179.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.67 -39.74 65.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 1.58 111.214 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 20' ' ' LEU . 13.3 mt -72.12 -55.83 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.63 111.181 -179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -49.41 -47.36 48.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 1.98 111.195 -179.768 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 -36.25 76.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.993 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -68.09 -35.18 77.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 1.43 110.974 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' B' ' 28' ' ' VAL . 15.9 ttt180 -74.98 -42.27 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 2.28 111.286 -179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -55.77 26.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.75 110.974 -179.822 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -50.57 -42.31 55.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 2.89 110.341 179.942 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.522 HD23 HG23 ' A' ' 10' ' ' ILE . 3.4 mp -62.42 -37.75 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.947 -0.569 . . . . 1.38 109.878 178.842 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.1 t -64.3 -46.17 93.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.276 179.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -28.14 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.836 -0.62 . . . . 2.33 110.017 179.011 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -76.32 -31.3 58.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.673 -0.694 . . . . 2.39 110.489 179.248 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.641 ' CE1' HG22 ' A' ' 6' ' ' ILE . 37.9 p-80 -138.51 61.09 22.91 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.344 -0.389 . . . . 3.18 111.017 179.61 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.85 -26.69 5.31 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.594 2.196 . . . . 2.31 112.401 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.283 -0.865 . . . . 5.81 110.889 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.839 0.352 . . . . 4.94 111.192 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.56 -66.64 1.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.716 -0.754 . . . . 3.04 112.533 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.07 94.39 0.01 OUTLIER Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.808 -0.711 . . . . 1.84 112.321 179.995 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -161.16 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.148 0.499 . . . . 2.71 110.885 -179.213 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -146.95 -44.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.544 -0.753 . . . . 2.64 109.328 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.536 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -64.48 -50.49 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 1.8 109.631 178.59 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -30.37 61.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.125 -0.943 . . . . 2.15 110.986 179.796 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -78.05 -37.44 46.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.006 0.431 . . . . 2.21 110.551 179.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -58.95 -41.01 86.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 2.42 110.892 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.9 pt -68.14 -43.01 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.95 111.168 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.3 t0 -48.92 -34.54 13.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.433 0.635 . . . . 1.48 110.041 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -66.92 -48.59 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.381 -0.827 . . . . 1.41 109.412 178.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.777 HD13 ' HB3' ' B' ' 23' ' ' LYS . 22.9 mt -60.05 -46.72 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.517 -0.765 . . . . 0.48 110.157 178.954 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.91 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.8 t0 -48.5 -32.17 7.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.414 . . . . 1.29 110.95 179.656 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.65 -29.3 59.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.358 179.535 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' HD12 ' B' ' 20' ' ' LEU . 19.0 mt-10 -85.0 -33.21 22.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.799 -0.637 . . . . 2.07 111.038 -179.9 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.3 mt -65.6 -33.32 62.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.075 0.464 . . . . 0.94 110.716 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.87 -36.95 35.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.772 -0.649 . . . . 0.66 111.222 -179.834 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.13 -44.28 67.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.939 0.399 . . . . 1.79 110.797 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' B' ' 20' ' ' LEU . 6.7 mt -69.3 -49.03 59.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.63 110.68 179.748 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -52.23 -36.12 51.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.99 111.006 -179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.34 91.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.65 110.984 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -65.18 -32.7 74.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 1.53 110.907 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.893 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -72.13 -41.06 67.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 2.89 110.94 -179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -56.81 9.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.81 111.284 -179.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -37.15 20.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.987 0.423 . . . . 2.54 110.512 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.496 HD12 HD12 ' B' ' 13' ' ' ILE . 13.7 mt -66.78 -38.92 87.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.35 109.682 178.718 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 24' ' ' ARG . 25.0 t -64.42 -44.21 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 115.849 -0.614 . . . . 0.79 110.172 179.057 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -29.74 33.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 2.23 109.911 179.03 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -75.81 -29.85 58.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.674 -0.693 . . . . 2.29 110.491 179.263 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' CE1' HG22 ' B' ' 6' ' ' ILE . 49.7 p-80 -141.12 61.08 13.56 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.898 0.38 . . . . 2.47 111.115 179.663 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.28 -30.92 3.08 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.658 2.239 . . . . 2.23 112.399 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 5.58 110.871 -179.94 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.739 0.304 . . . . 5.51 110.822 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.56 -73.54 0.61 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 3.11 112.501 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.0 43.01 16.63 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.895 -0.669 . . . . 1.66 112.44 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -130.73 -84.43 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 2.59 111.034 -179.385 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.43 -44.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.712 -0.676 . . . . 2.22 109.48 179.616 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.4 mt -62.56 -47.8 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.581 -0.736 . . . . 1.57 109.772 178.798 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' B' ' 10' ' ' ILE . 0.0 OUTLIER -53.47 -29.77 37.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.24 -0.891 . . . . 1.94 111.108 179.934 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.22 -38.83 50.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.089 0.471 . . . . 2.22 110.418 179.647 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -59.45 -41.53 89.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.808 -0.633 . . . . 2.37 110.758 179.816 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' B' ' 7' ' ' GLU . 16.9 pt -68.31 -43.25 84.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.311 -0.404 . . . . 1.11 111.138 179.91 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -47.82 -34.79 9.16 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.387 0.613 . . . . 1.51 110.063 179.61 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.78 -49.34 66.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.394 -0.821 . . . . 1.44 109.562 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.777 HG22 HD11 ' B' ' 17' ' ' ILE . 39.4 mt -59.69 -46.99 92.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.527 -0.76 . . . . 0.55 110.252 178.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -48.25 -32.35 7.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 1.32 111.06 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.03 -29.07 57.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 1.19 110.347 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 20' ' ' LEU . 18.2 mt-10 -84.85 -33.34 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.976 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.5 mt -65.73 -33.34 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 1.06 110.738 179.868 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.43 -36.67 38.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.773 -0.648 . . . . 0.58 111.301 -179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -46.03 69.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.943 0.401 . . . . 1.58 110.744 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.83 HD11 HD11 ' A' ' 20' ' ' LEU . 8.1 mt -67.38 -49.06 65.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.63 110.781 179.677 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -50.52 -36.08 32.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 1.98 110.975 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.0 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.62 110.764 179.704 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.777 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -63.08 -33.92 76.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.029 -0.532 . . . . 1.43 110.895 179.867 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.933 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.98 -45.87 55.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 2.28 110.939 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -52.46 65.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.75 111.209 -179.745 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 13.1 ptm180 -51.76 -44.65 63.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.014 0.435 . . . . 2.89 110.525 -179.855 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -64.43 -35.15 79.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.935 -0.575 . . . . 1.38 110.125 179.298 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.7 t -64.67 -43.74 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.196 0 CA-C-N 116.288 -0.415 . . . . 0.79 110.264 179.344 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -52.74 -33.88 50.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.742 179.102 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.433 ' HG2' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -70.44 -30.53 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.621 -0.718 . . . . 2.39 110.324 179.18 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.536 ' CE1' HG22 ' A' ' 6' ' ' ILE . 51.9 p-80 -143.41 71.45 17.82 Favored Pre-proline 0 C--N 1.333 -0.118 0 CA-C-N 116.257 -0.428 . . . . 3.18 110.939 179.6 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.22 -27.12 64.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.6 2.2 . . . . 2.31 112.36 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.236 -0.888 . . . . 5.81 110.915 179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.78 0.324 . . . . 4.94 111.162 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.28 -81.54 0.33 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.727 -0.749 . . . . 3.04 112.517 -179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.86 -131.22 10.28 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.716 -0.754 . . . . 1.84 112.482 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -94.0 15.03 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.662 0.268 . . . . 2.71 111.328 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -29.64 32.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.227 0.537 . . . . 2.64 110.025 179.515 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.638 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.7 mp -78.16 -45.39 27.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.36 -0.837 . . . . 1.8 110.257 179.191 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -55.54 -23.91 29.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.574 -0.739 . . . . 2.15 110.911 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.147 0.499 . . . . 2.21 110.004 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -61.16 -36.24 79.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.609 -0.723 . . . . 2.42 110.701 179.591 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.624 ' HB ' ' CD ' ' B' ' 24' ' ' ARG . 26.1 pt -68.98 -44.43 81.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.065 179.783 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.458 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.0 t70 -49.61 -34.03 16.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.422 0.629 . . . . 1.48 109.714 179.477 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.242 -0.89 . . . . 1.41 109.51 178.756 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.738 HD13 ' HB3' ' B' ' 23' ' ' LYS . 23.1 mt -60.22 -50.1 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.618 -0.719 . . . . 0.48 110.487 179.108 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.893 ' HA ' HD12 ' A' ' 17' ' ' ILE . 7.6 t0 -48.79 -31.56 7.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 1.29 111.1 179.71 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -75.36 -27.88 59.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.065 0.459 . . . . 1.11 110.269 179.47 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 11.9 mt-10 -85.29 -37.63 19.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 2.07 110.821 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.893 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.5 mt -60.72 -33.13 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.94 110.508 179.703 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.3 -36.68 29.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.674 -0.693 . . . . 0.66 111.355 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -46.15 75.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 1.79 110.862 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' B' ' 20' ' ' LEU . 8.5 mt -67.29 -51.09 57.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.883 179.751 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.84 -33.67 24.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 1.99 111.05 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.84 -30.88 64.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.65 110.83 179.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' HB3' HD13 ' B' ' 13' ' ' ILE . 5.4 mttm -69.07 -32.33 71.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 1.53 111.034 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.903 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -71.73 -45.9 60.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 2.89 111.006 -179.845 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -53.86 51.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.81 111.307 -179.601 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -51.07 -46.33 61.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 2.54 110.398 -179.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 HG23 ' B' ' 6' ' ' ILE . 0.8 OUTLIER -60.08 -36.67 77.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.91 179.094 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.8 t -63.98 -43.98 97.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.79 109.994 179.18 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -51.81 -28.9 17.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.902 -0.59 . . . . 2.23 109.843 179.032 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -31.82 58.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.654 -0.703 . . . . 2.29 110.459 179.204 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' B' ' 6' ' ' ILE . 18.3 p-80 -138.04 60.65 24.02 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.286 -0.415 . . . . 2.47 110.995 179.666 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.91 -35.61 0.93 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.618 2.212 . . . . 2.23 112.465 -179.926 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.055 -0.52 . . . . 5.58 110.972 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.807 0.337 . . . . 5.51 110.914 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.12 87.29 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.719 . . . . 3.11 112.477 -179.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -133.34 57.44 0.71 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 1.66 112.445 179.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 63.05 16.56 9.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 2.59 111.386 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -54.17 -28.49 40.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 2.22 110.167 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.61 HG22 ' CE1' ' A' ' 31' ' ' HIS . 3.0 mt -79.48 -45.25 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.512 -0.767 . . . . 1.57 110.409 179.382 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.5 -32.56 62.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.622 -0.717 . . . . 1.94 110.707 179.634 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -77.4 -39.69 46.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.265 179.477 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.728 179.749 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 20.2 pt -71.42 -43.92 72.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 1.11 111.259 179.88 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.413 ' N ' HG13 ' B' ' 10' ' ' ILE . 2.3 t70 -49.49 -34.93 18.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.432 0.634 . . . . 1.51 109.765 179.475 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -46.25 77.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.343 -0.844 . . . . 1.44 109.252 178.708 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.691 HG22 HD11 ' B' ' 17' ' ' ILE . 24.3 mt -60.99 -47.11 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.468 -0.787 . . . . 0.55 110.185 178.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.916 ' HA ' HD12 ' B' ' 17' ' ' ILE . 4.6 t0 -48.0 -31.91 5.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.299 -0.409 . . . . 1.32 111.006 179.645 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -76.48 -29.62 56.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.198 -0.455 . . . . 1.19 110.375 179.579 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 20' ' ' LEU . 17.6 mt-10 -83.99 -33.74 24.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.893 -0.594 . . . . 2.03 111.024 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.0 mt -64.47 -35.5 74.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.003 -0.544 . . . . 1.06 110.646 179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.59 -35.64 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.724 -0.671 . . . . 0.58 111.206 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.52 -46.11 73.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.264 -0.425 . . . . 1.58 110.902 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.746 HD11 HD11 ' A' ' 20' ' ' LEU . 8.7 mt -65.68 -50.98 62.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.63 110.834 179.872 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.64 -30.6 9.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 1.98 111.06 -179.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.4 -41.62 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.62 110.919 179.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.738 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.1 mptp? -64.64 -35.67 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.43 110.895 179.881 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.9 ' O ' HG23 ' B' ' 28' ' ' VAL . 2.0 tpt85 -64.03 -49.31 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.989 -0.55 . . . . 2.28 111.191 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -56.17 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.417 -0.356 . . . . 0.75 111.359 -179.669 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' B' ' 23' ' ' LYS . 4.7 ptm85 -48.21 -41.25 26.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.076 0.465 . . . . 2.89 110.549 -179.813 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.533 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 2.5 mm? -64.34 -39.3 93.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 1.38 109.914 179.12 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.7 t -62.46 -42.78 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.79 110.301 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -53.24 -34.26 56.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 2.33 109.912 179.176 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.5 -31.48 70.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.703 -0.681 . . . . 2.39 110.117 179.189 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.638 ' CE1' HG22 ' A' ' 6' ' ' ILE . 31.7 p-80 -139.58 75.86 31.27 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.288 -0.414 . . . . 3.18 111.004 179.465 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.31 -25.39 30.73 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.529 2.152 . . . . 2.31 112.353 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.297 -0.858 . . . . 5.81 110.913 179.974 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.2 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.784 0.326 . . . . 4.94 111.261 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.1 -27.82 0.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 3.04 112.558 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.43 -125.96 7.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 1.84 112.491 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.62 13.17 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.646 0.26 . . . . 2.71 111.393 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -52.81 -28.31 22.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.175 0.512 . . . . 2.64 110.001 179.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.648 HG23 HD22 ' B' ' 27' ' ' LEU . 26.0 mt -79.19 -44.55 24.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.468 -0.787 . . . . 1.8 110.307 179.259 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -56.35 -30.73 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.573 -0.74 . . . . 2.15 110.813 179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -40.59 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 2.21 110.373 179.537 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -62.71 -37.24 85.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 2.42 110.791 179.727 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.7 pt -70.95 -43.66 76.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.199 179.935 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 18.5 t70 -50.33 -34.38 23.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.352 0.596 . . . . 1.48 109.908 179.639 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -66.87 -46.36 75.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.336 -0.847 . . . . 1.41 109.29 178.831 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.712 HG22 HD11 ' A' ' 17' ' ' ILE . 38.0 mt -60.93 -47.0 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.401 -0.818 . . . . 0.48 110.231 178.89 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.897 ' HA ' HD12 ' A' ' 17' ' ' ILE . 9.1 t0 -48.74 -31.82 7.52 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.28 -0.418 . . . . 1.29 110.914 179.601 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -28.71 57.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 1.11 110.319 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' ILE . 13.4 mt-10 -84.93 -34.45 22.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.969 -0.559 . . . . 2.07 111.046 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.6 mt -64.81 -33.13 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.716 179.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -37.04 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.776 -0.647 . . . . 0.66 111.216 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -53.75 -44.76 70.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.319 -0.401 . . . . 1.79 110.864 179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' B' ' 20' ' ' LEU . 7.2 mt -68.31 -50.31 54.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 0.63 110.776 179.812 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.54 -30.58 31.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.166 -0.47 . . . . 1.99 111.035 -179.822 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.47 -33.06 62.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.65 110.818 179.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HB3' HD13 ' B' ' 13' ' ' ILE . 73.9 mttt -68.57 -31.17 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 1.53 111.0 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.895 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -73.98 -46.88 41.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 2.89 111.072 -179.878 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -54.13 48.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.81 111.309 -179.681 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.717 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -50.84 -45.17 59.57 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.232 -0.44 . . . . 2.54 110.407 -179.911 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' A' ' 26' ' ' ARG . 1.9 mp -61.13 -37.13 81.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.942 -0.572 . . . . 1.35 109.932 179.059 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.1 t -63.34 -44.27 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.175 0 CA-C-N 116.168 -0.469 . . . . 0.79 110.225 179.386 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -51.8 -31.07 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 2.23 109.994 179.158 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -75.43 -29.82 59.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.641 -0.709 . . . . 2.29 110.566 179.262 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' CE1' HG22 ' B' ' 6' ' ' ILE . 45.8 p-80 -141.82 62.81 15.24 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.359 -0.382 . . . . 2.47 110.946 179.744 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.24 -28.57 8.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.607 2.205 . . . . 2.23 112.283 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 5.58 110.901 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.886 0.374 . . . . 5.51 110.975 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.62 -64.77 0.83 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 3.11 112.553 -179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -40.99 96.21 0.01 OUTLIER Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.135 -0.555 . . . . 1.66 112.676 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -160.31 -80.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.109 0.481 . . . . 2.59 110.777 -179.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -144.81 -43.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.477 -0.783 . . . . 2.22 109.216 179.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.547 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.1 mt -64.44 -49.4 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.501 -0.772 . . . . 1.57 109.693 178.659 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -30.6 45.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.126 -0.943 . . . . 1.94 111.133 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -77.0 -38.14 53.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.939 0.4 . . . . 2.22 110.493 179.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -60.07 -40.14 88.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 2.37 110.836 179.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.597 HG23 HD23 ' A' ' 27' ' ' LEU . 17.3 pt -69.63 -43.04 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.11 111.288 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -49.07 -34.76 14.36 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.367 0.603 . . . . 1.51 109.951 179.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.377 -0.828 . . . . 1.44 109.377 178.731 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.692 HG22 HD11 ' B' ' 17' ' ' ILE . 22.4 mt -60.42 -46.85 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.377 -0.829 . . . . 0.55 110.224 178.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.4 t0 -48.09 -32.95 7.43 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.354 -0.385 . . . . 1.32 111.035 179.583 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -29.16 59.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 1.19 110.304 179.621 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.9 mm-40 -84.59 -34.39 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 2.03 111.062 -179.891 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.6 mt -64.01 -34.18 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.122 0.487 . . . . 1.06 110.782 179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.11 -36.75 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.707 -0.679 . . . . 0.58 111.244 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -54.48 -46.17 73.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 1.58 110.857 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.767 HD11 HD11 ' A' ' 20' ' ' LEU . 8.4 mt -66.33 -50.94 61.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.63 110.909 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -51.24 -32.83 25.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 1.98 111.228 -179.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.97 72.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.0 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.569 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -66.63 -34.4 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.43 111.122 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -68.77 -46.0 69.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 2.28 111.179 -179.822 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -54.65 42.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.75 111.267 -179.61 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 5.0 ptm180 -50.45 -42.22 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.095 0.474 . . . . 2.89 110.538 -179.802 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.648 HD22 HG23 ' A' ' 6' ' ' ILE . 10.4 mt -64.98 -36.7 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 1.38 110.045 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 24' ' ' ARG . 25.2 t -64.95 -42.28 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.029 0.442 . . . . 0.79 110.105 179.077 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -33.26 44.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.83 -0.623 . . . . 2.33 109.739 179.07 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -32.82 69.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.665 -0.698 . . . . 2.39 110.305 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.623 ' CE1' HG22 ' A' ' 6' ' ' ILE . 20.7 p-80 -137.19 70.86 55.17 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.399 . . . . 3.18 111.003 179.459 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.09 -28.07 13.23 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.581 2.187 . . . . 2.31 112.345 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.224 -0.893 . . . . 5.81 110.897 -179.983 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.773 0.321 . . . . 4.94 111.261 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.97 -86.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 3.04 112.523 179.909 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -47.76 94.74 0.01 OUTLIER Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.797 -0.716 . . . . 1.84 112.276 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -161.21 -80.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.106 0.479 . . . . 2.71 110.895 -179.13 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.09 -43.91 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.474 -0.785 . . . . 2.64 109.242 179.669 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.609 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.7 mt -65.56 -51.25 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 115.485 -0.78 . . . . 1.8 109.538 178.566 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.96 -31.69 68.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.158 -0.928 . . . . 2.15 110.892 179.668 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -78.36 -34.79 48.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 2.21 110.516 179.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -60.48 -38.96 85.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 2.42 110.78 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.0 pt -70.77 -43.16 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.322 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' N ' HG13 ' A' ' 10' ' ' ILE . 6.0 t70 -49.8 -34.03 18.35 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.371 0.605 . . . . 1.48 110.065 179.771 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 3.6 t70 -68.46 -47.2 67.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.384 -0.825 . . . . 1.41 109.414 178.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.736 HG22 HD11 ' A' ' 17' ' ' ILE . 18.8 mt -60.3 -48.68 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.548 -0.751 . . . . 0.48 110.466 179.12 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.914 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.8 t0 -48.54 -33.03 8.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.359 -0.382 . . . . 1.29 111.135 179.728 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.45 -28.02 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.11 110.386 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' HB2' HD13 ' B' ' 20' ' ' LEU . 3.1 mm-40 -85.76 -37.96 18.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.737 -0.665 . . . . 2.07 111.021 -179.828 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -61.12 -32.48 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.121 -0.49 . . . . 0.94 110.781 -179.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.62 -40.14 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.641 . . . . 0.66 111.12 -179.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -54.94 -44.45 74.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.79 110.924 -179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 16' ' ' GLU . 9.3 mt -66.07 -52.67 46.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.63 111.092 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.34 -38.55 28.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.99 111.351 -179.688 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.83 87.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.2 -0.455 . . . . 0.65 110.92 179.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -58.61 -34.47 71.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.071 -0.513 . . . . 1.53 111.056 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.901 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -73.35 -43.2 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 2.89 111.085 -179.795 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -56.38 14.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.81 111.282 -179.758 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.42 -41.44 39.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.105 0.479 . . . . 2.54 110.58 -179.788 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 HG23 ' B' ' 10' ' ' ILE . 2.5 mp -64.58 -37.49 87.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.922 -0.581 . . . . 1.35 109.981 179.078 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 24' ' ' ARG . 47.8 t -61.63 -45.1 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.79 110.12 179.29 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -52.41 -33.06 42.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 2.23 109.611 179.004 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.45 -30.43 68.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.546 -0.752 . . . . 2.29 110.293 179.068 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.1 p-80 -144.45 72.06 15.83 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-N 116.271 -0.422 . . . . 2.47 110.988 179.535 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.12 -27.67 35.33 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.593 2.196 . . . . 2.23 112.27 -179.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.306 -0.406 . . . . 5.58 110.865 179.919 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 5.51 110.913 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.54 -157.1 27.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.757 -0.735 . . . . 3.11 112.581 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.79 28.33 59.23 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.694 -0.765 . . . . 1.66 112.494 -179.971 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 62.25 17.41 9.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.713 0.292 . . . . 2.59 111.336 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -55.54 -25.9 40.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.122 0.487 . . . . 2.22 110.219 179.7 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.667 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mt -80.3 -45.65 22.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.537 -0.756 . . . . 1.57 110.517 179.526 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -29.17 65.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.667 -0.697 . . . . 1.94 111.015 179.789 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -77.56 -41.11 40.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.139 0.495 . . . . 2.22 110.267 179.558 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -60.65 -35.71 76.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.744 -0.662 . . . . 2.37 110.832 179.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.66 HG23 HD23 ' A' ' 27' ' ' LEU . 17.9 pt -73.46 -43.66 55.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.333 . . . . 1.11 111.359 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.8 OUTLIER -47.99 -35.17 10.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.342 0.591 . . . . 1.51 109.884 179.64 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 23.4 t0 -68.15 -49.1 63.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.342 -0.845 . . . . 1.44 109.69 178.941 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.816 HG22 HD11 ' B' ' 17' ' ' ILE . 37.3 mt -59.4 -48.94 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 0.55 110.594 179.215 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.892 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.9 t0 -47.9 -33.93 8.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.328 -0.396 . . . . 1.32 111.131 179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.29 -28.27 61.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.362 179.723 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' HB2' HD13 ' A' ' 20' ' ' LEU . 3.0 mm-40 -85.95 -35.18 20.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.994 -179.71 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.892 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.4 mt -63.66 -31.69 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 1.06 110.856 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.82 -44.73 20.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.86 -0.609 . . . . 0.58 111.351 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.38 -39.09 56.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 1.58 110.944 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.539 ' N ' HD23 ' B' ' 20' ' ' LEU . 2.3 mt -69.62 -55.05 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.091 179.94 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.08 -32.18 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.98 111.268 -179.676 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.52 -33.46 66.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.403 . . . . 0.62 111.103 179.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.674 ' O ' HD12 ' B' ' 27' ' ' LEU . 40.1 mttt -69.34 -31.03 69.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 1.43 111.141 -179.81 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.914 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.99 -46.86 49.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 2.28 111.216 -179.855 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -53.79 54.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.75 111.185 -179.712 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -50.74 -43.56 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 2.89 110.536 -179.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.674 HD12 ' O ' ' B' ' 23' ' ' LYS . 2.5 mt -64.87 -35.61 81.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.836 -0.62 . . . . 1.38 110.23 179.35 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.914 HG23 ' O ' ' B' ' 24' ' ' ARG . 24.2 t -65.68 -44.61 93.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.373 . . . . 0.79 110.345 179.452 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -33.88 40.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.033 -0.531 . . . . 2.33 109.891 179.15 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.45 -31.75 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.667 -0.697 . . . . 2.39 110.324 179.183 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.609 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.3 p-80 -143.55 74.03 17.09 Favored Pre-proline 0 C--N 1.333 -0.127 0 CA-C-N 116.24 -0.436 . . . . 3.18 111.007 179.542 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.05 -36.27 17.81 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.565 2.177 . . . . 2.31 112.38 -179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.237 -0.887 . . . . 5.81 110.897 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.1 p . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.754 0.311 . . . . 4.94 111.231 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.44 -118.96 10.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.63 -0.795 . . . . 3.04 112.451 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 47.33 41.92 17.34 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.831 -0.699 . . . . 1.84 112.371 -179.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -126.87 -84.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.998 0.428 . . . . 2.71 110.979 -179.38 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.57 -43.66 0.24 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.857 -0.611 . . . . 2.64 109.564 179.706 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.513 HG22 ' CE1' ' B' ' 31' ' ' HIS . 1.9 mt -65.46 -51.11 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 1.8 109.738 178.764 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.31 -34.53 47.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.179 -0.919 . . . . 2.15 110.961 179.778 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -75.15 -34.08 61.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 2.21 110.425 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -62.51 -41.11 98.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 2.42 110.761 179.802 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.9 pt -70.29 -42.93 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.95 111.253 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -49.81 -34.2 18.89 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.433 0.635 . . . . 1.48 109.979 179.67 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 1.2 m-20 -68.77 -44.58 73.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.293 -0.867 . . . . 1.41 109.425 178.845 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 HD11 ' A' ' 17' ' ' ILE . 26.9 mt -61.15 -48.14 90.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 115.412 -0.813 . . . . 0.48 110.298 178.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' A' ' 17' ' ' ILE . 4.5 t0 -48.87 -33.93 11.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.356 -0.384 . . . . 1.29 111.097 179.678 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -26.96 60.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 1.11 110.467 179.602 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 2.3 mm-40 -86.94 -36.01 18.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.021 -179.764 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.4 mt -62.1 -32.22 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.94 110.673 179.775 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.55 -39.87 21.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.639 -0.71 . . . . 0.66 111.073 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -55.45 -34.13 64.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.798 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.53 HD23 ' N ' ' A' ' 20' ' ' LEU . 2.5 mt -75.3 -56.45 4.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.63 110.804 179.82 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CD ' HG21 ' B' ' 17' ' ' ILE . 0.4 OUTLIER -52.65 -43.86 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 1.99 110.994 -179.843 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.05 70.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.65 110.845 179.771 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -73.87 -35.45 64.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 1.53 110.808 179.886 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.871 ' O ' HG23 ' A' ' 28' ' ' VAL . 18.9 ttt180 -71.08 -41.17 71.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 2.89 111.176 -179.928 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -56.09 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.81 111.06 -179.891 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 3.6 ptp180 -49.78 -37.84 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 2.54 110.457 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 23' ' ' LYS . 4.3 mp -67.2 -39.29 86.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.079 -0.509 . . . . 1.35 109.75 178.891 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 24' ' ' ARG . 23.6 t -63.49 -44.07 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.993 -0.549 . . . . 0.79 110.225 179.182 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -53.95 -30.17 45.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.81 -0.632 . . . . 2.23 109.916 179.063 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -73.55 -30.38 63.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.773 -0.649 . . . . 2.29 110.355 179.121 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.649 ' CE1' HG22 ' B' ' 6' ' ' ILE . 42.1 p-80 -137.39 66.74 52.23 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.928 0.394 . . . . 2.47 110.952 179.529 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.2 -15.69 15.98 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.638 2.225 . . . . 2.23 112.531 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.889 0.376 . . . . 5.58 110.958 179.953 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 5.51 110.856 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.47 161.98 33.99 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.704 -0.76 . . . . 3.11 112.49 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -119.88 -84.6 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 1.66 112.399 179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -93.36 14.48 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 2.59 111.36 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.37 -27.49 24.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.524 . . . . 2.22 109.999 179.615 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.649 HG22 ' CE1' ' A' ' 31' ' ' HIS . 23.2 mt -81.82 -44.84 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.429 -0.805 . . . . 1.57 110.279 179.356 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -30.79 65.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.574 -0.739 . . . . 1.94 110.816 179.723 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -77.74 -39.22 45.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.126 0.488 . . . . 2.22 110.206 179.471 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -60.82 -40.24 92.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.71 -0.677 . . . . 2.37 110.718 179.647 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.439 ' HB ' ' HG2' ' A' ' 24' ' ' ARG . 16.9 pt -69.41 -42.59 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.225 -0.443 . . . . 1.11 111.217 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.409 ' N ' HG13 ' B' ' 10' ' ' ILE . 13.3 t70 -48.84 -35.25 14.15 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.554 0.692 . . . . 1.51 109.8 179.581 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 0.6 OUTLIER -67.93 -43.82 78.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.175 -0.921 . . . . 1.44 109.266 178.634 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.615 HG22 HD11 ' B' ' 17' ' ' ILE . 12.3 mt -61.43 -48.81 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.464 -0.789 . . . . 0.55 110.335 179.053 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.924 ' HA ' HD12 ' B' ' 17' ' ' ILE . 8.1 t0 -47.65 -34.41 8.01 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.437 -0.347 . . . . 1.32 111.187 179.763 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -28.23 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 1.19 110.438 179.677 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.498 ' HB2' HD13 ' A' ' 20' ' ' LEU . 4.6 mm-40 -85.71 -38.16 18.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 2.03 111.046 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.924 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.7 mt -59.35 -33.26 50.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.625 179.896 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.03 24.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.698 -0.683 . . . . 0.58 111.278 -179.848 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -54.24 -41.87 69.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 1.58 111.083 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 16' ' ' GLU . 9.3 mt -67.69 -53.44 27.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.63 111.007 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -33.7 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.98 111.312 -179.661 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.36 -29.75 62.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.62 111.062 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.47 ' HB3' HD13 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -71.99 -33.01 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 1.43 111.118 -179.864 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.897 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.4 OUTLIER -69.19 -44.68 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.376 -0.375 . . . . 2.28 111.255 -179.793 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.75 111.312 -179.498 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -49.45 -40.85 38.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 2.89 110.579 -179.705 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' O ' ' ND1' ' B' ' 31' ' ' HIS . 3.8 mt -65.98 -38.46 88.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.946 -0.57 . . . . 1.38 110.099 179.109 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.7 t -62.09 -47.23 94.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.229 -0.441 . . . . 0.79 110.429 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -32.49 34.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 2.33 109.836 179.169 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.25 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.626 -0.716 . . . . 2.39 110.36 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.513 ' CE1' HG22 ' A' ' 6' ' ' ILE . 49.0 p-80 -142.67 71.99 20.11 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.259 -0.428 . . . . 3.18 110.989 179.699 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.05 -28.21 16.26 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.521 2.148 . . . . 2.31 112.281 179.917 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 5.81 110.847 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.9 m . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.829 0.347 . . . . 4.94 111.155 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.15 143.56 5.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 3.04 112.517 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.55 -120.87 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.826 -0.702 . . . . 1.84 112.562 179.939 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.28 12.71 21.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.663 0.268 . . . . 2.71 111.328 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -28.31 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.152 0.501 . . . . 2.64 109.986 179.659 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.636 HG22 ' CE1' ' B' ' 31' ' ' HIS . 23.2 mt -79.8 -44.61 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.42 -0.809 . . . . 1.8 110.344 179.184 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -57.55 -29.19 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.653 -0.703 . . . . 2.15 110.801 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -81.6 -40.71 22.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 2.21 110.145 179.465 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -62.06 -33.9 75.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.692 -0.686 . . . . 2.42 110.681 179.646 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 11' ' ' ASP . 20.4 pt -72.02 -43.45 67.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.95 111.206 179.834 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -50.74 -34.51 27.34 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.384 0.611 . . . . 1.48 109.696 179.67 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.63 -47.06 73.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.326 -0.852 . . . . 1.41 109.361 178.876 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.679 HG22 HD11 ' A' ' 17' ' ' ILE . 25.4 mt -60.86 -46.46 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 115.587 -0.733 . . . . 0.48 110.304 178.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.936 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.1 t0 -48.05 -33.11 7.57 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.263 -0.426 . . . . 1.29 111.034 179.662 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -76.0 -29.02 58.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 1.11 110.434 179.638 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 17.3 mt-10 -84.23 -33.34 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 2.07 110.969 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.77 -34.65 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.94 110.682 179.862 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.36 -36.34 46.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.39 -179.77 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -55.36 -48.81 73.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.802 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' B' ' 20' ' ' LEU . 6.6 mt -62.71 -52.19 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 0.63 111.011 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -49.63 -30.34 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 1.99 111.179 -179.785 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.71 66.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.65 110.975 179.818 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB2' HD13 ' B' ' 13' ' ' ILE . 17.7 mmtt -67.04 -33.47 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 1.53 111.175 -179.877 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.904 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -71.63 -47.07 56.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 2.89 111.33 -179.742 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.96 -53.12 61.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.81 111.285 -179.619 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -51.02 -44.36 61.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 2.54 110.667 -179.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 HG23 ' B' ' 10' ' ' ILE . 6.8 mp -65.35 -35.28 80.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 1.35 110.32 179.412 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 24' ' ' ARG . 40.0 t -63.59 -46.88 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.921 0.391 . . . . 0.79 110.332 179.423 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -33.57 34.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 2.23 109.704 179.161 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -31.83 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.598 -0.728 . . . . 2.29 110.257 179.134 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.628 ' CE1' HG22 ' B' ' 6' ' ' ILE . 52.6 p-80 -143.18 75.43 17.11 Favored Pre-proline 0 C--N 1.333 -0.11 0 CA-C-N 116.209 -0.451 . . . . 2.47 110.984 179.503 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.48 -175.13 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.633 2.222 . . . . 2.23 112.272 -179.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.25 0 CA-C-N 116.001 -0.545 . . . . 5.58 111.541 179.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 5.51 110.817 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.25 21.41 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 3.11 112.717 179.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -44.5 95.6 0.01 OUTLIER Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.961 -0.637 . . . . 1.66 112.54 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -156.71 -81.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.156 0.503 . . . . 2.59 110.798 -179.138 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -139.35 -43.37 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.432 -0.804 . . . . 2.22 109.185 179.436 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.628 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.9 mt -65.16 -50.66 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.445 -0.798 . . . . 1.57 109.534 178.43 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.11 -32.46 71.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.126 -0.943 . . . . 1.94 110.798 179.716 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.98 -33.95 44.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 2.22 110.367 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -61.06 -38.69 87.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 2.37 110.781 179.753 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.497 HG23 HD23 ' A' ' 27' ' ' LEU . 16.3 pt -70.58 -43.09 78.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.364 . . . . 1.11 111.102 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.42 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -49.11 -34.67 14.45 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.345 0.593 . . . . 1.51 109.965 179.568 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.47 -47.46 70.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.433 -0.803 . . . . 1.44 109.329 178.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.732 HG22 HD11 ' B' ' 17' ' ' ILE . 19.7 mt -59.84 -47.86 89.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.497 -0.774 . . . . 0.55 110.307 178.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.895 ' HA ' HD12 ' B' ' 17' ' ' ILE . 6.1 t0 -48.6 -32.14 7.7 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.272 -0.422 . . . . 1.32 110.974 179.647 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.2 -28.71 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 1.19 110.337 179.493 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.443 ' O ' HD12 ' A' ' 20' ' ' LEU . 14.6 mt-10 -85.4 -35.45 21.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 2.03 111.044 -179.825 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' B' ' 14' ' ' ASP . 9.3 mt -63.71 -32.19 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 1.06 110.838 179.895 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.81 28.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.858 -0.61 . . . . 0.58 111.156 -179.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.64 -43.48 68.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 1.58 110.877 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.742 HD11 HD11 ' A' ' 20' ' ' LEU . 11.1 mt -70.1 -51.54 30.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.63 110.933 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -53.13 -34.16 55.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 1.98 111.109 -179.837 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.9 -30.27 63.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.62 111.096 179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.454 ' HB3' HD13 ' A' ' 13' ' ' ILE . 7.0 mtpt -71.73 -33.78 69.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.43 111.062 -179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.917 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -68.98 -46.17 68.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.403 . . . . 2.28 111.139 -179.859 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -55.26 31.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.75 111.212 -179.587 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -49.84 -44.01 49.21 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.102 0.477 . . . . 2.89 110.468 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 4.3 mp -62.37 -37.75 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 1.38 110.027 179.151 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 24' ' ' ARG . 40.3 t -62.64 -47.42 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.79 110.287 179.262 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -50.83 -29.69 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.918 -0.583 . . . . 2.33 109.71 179.151 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.554 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -71.88 -34.4 69.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.564 -0.744 . . . . 2.39 110.358 179.156 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.636 ' CE1' HG22 ' A' ' 6' ' ' ILE . 24.4 p-80 -133.68 69.27 76.19 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 3.18 111.067 179.594 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.81 139.69 19.98 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.656 2.238 . . . . 2.31 112.364 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 5.81 111.542 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.839 0.352 . . . . 4.94 111.163 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 8' ' ' GLN . . . 99.91 119.27 4.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 3.04 112.426 -179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.0 11.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.554 -0.831 . . . . 1.84 112.057 179.48 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.54 14.37 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 2.71 111.064 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 72.03 22.01 3.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.513 0.673 . . . . 2.64 109.67 -178.677 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' B' ' 31' ' ' HIS . 7.0 mt -139.98 -48.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.859 -1.064 . . . . 1.8 108.992 -179.884 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.65 -26.94 4.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.82 -1.082 . . . . 2.15 110.463 178.623 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.428 ' HB2' ' CA ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -77.88 -40.64 39.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.942 -0.572 . . . . 2.21 110.095 179.264 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -39.52 86.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.806 -0.633 . . . . 2.42 110.696 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 11' ' ' ASP . 19.6 pt -69.62 -43.06 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.159 179.877 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -49.4 -34.19 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.315 0.578 . . . . 1.48 109.944 179.659 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.42 -47.81 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.347 -0.842 . . . . 1.41 109.339 178.87 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 17' ' ' ILE . 22.6 mt -59.84 -47.1 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.589 -0.732 . . . . 0.48 110.146 178.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.93 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.2 t0 -48.68 -32.38 8.27 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.284 -0.416 . . . . 1.29 110.98 179.634 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -75.37 -28.8 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 1.11 110.314 179.537 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 16.8 mt-10 -84.99 -34.11 22.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 2.07 111.032 -179.874 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.93 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -64.83 -32.96 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.94 110.735 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.45 -36.74 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.763 -0.653 . . . . 0.66 111.184 -179.854 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.15 -45.72 72.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 1.79 110.765 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' B' ' 20' ' ' LEU . 6.0 mt -67.53 -50.27 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.63 110.783 179.754 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.7 -33.37 33.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.146 -0.479 . . . . 1.99 111.116 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.25 72.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.65 110.919 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -66.14 -33.82 76.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 1.53 110.991 179.894 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -71.76 -44.73 63.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 2.89 111.116 -179.963 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -56.18 24.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.81 111.016 -179.767 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -50.69 -40.91 55.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.159 0.504 . . . . 2.54 110.407 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD12 HD12 ' B' ' 13' ' ' ILE . 25.1 mt -64.74 -38.13 89.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 1.35 109.907 178.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.0 t -63.85 -45.56 96.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.79 110.046 179.136 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -51.52 -30.04 18.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.878 -0.601 . . . . 2.23 109.764 179.106 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -33.37 65.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.662 -0.699 . . . . 2.29 110.36 179.11 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' B' ' 6' ' ' ILE . 20.3 p-80 -139.05 65.84 37.54 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 2.47 111.077 179.616 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.05 -30.89 5.33 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.676 2.25 . . . . 2.23 112.428 -179.915 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.06 -0.518 . . . . 5.58 110.926 179.981 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 5.51 110.846 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.68 52.82 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 3.11 112.482 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.67 -155.21 50.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 1.66 112.501 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -94.0 15.0 17.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 2.59 111.341 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -53.09 -28.79 26.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.234 0.54 . . . . 2.22 110.056 179.651 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.8 mp -80.66 -44.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.455 -0.793 . . . . 1.57 110.342 179.302 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.98 -28.25 56.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.663 -0.699 . . . . 1.94 110.8 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.19 -41.64 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.107 0.48 . . . . 2.22 110.374 179.599 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -62.44 -36.58 82.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.69 -0.686 . . . . 2.37 110.755 179.804 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.43 HG13 ' N ' ' B' ' 11' ' ' ASP . 19.5 pt -71.62 -43.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 1.11 111.226 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.43 ' N ' HG13 ' B' ' 10' ' ' ILE . 0.7 OUTLIER -50.4 -34.42 24.26 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.336 0.588 . . . . 1.51 109.906 179.655 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -47.95 71.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.41 -0.814 . . . . 1.44 109.481 178.816 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.717 HG22 HD11 ' B' ' 17' ' ' ILE . 22.8 mt -60.43 -46.87 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.55 110.282 178.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.8 t0 -48.33 -32.45 7.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.292 -0.413 . . . . 1.32 111.056 179.687 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -29.27 58.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.19 110.373 179.574 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.452 ' O ' HD12 ' A' ' 20' ' ' LEU . 20.4 mt-10 -84.41 -33.86 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.87 -0.605 . . . . 2.03 111.027 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.5 mt -64.86 -34.17 68.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 1.06 110.693 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.49 -37.63 42.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.852 -0.613 . . . . 0.58 111.366 -179.652 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -53.5 -44.5 69.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 1.58 110.998 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.784 HD11 HD11 ' A' ' 20' ' ' LEU . 9.1 mt -67.85 -50.49 56.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.63 111.037 179.882 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -50.98 -36.33 38.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 1.98 111.278 -179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.41 72.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.62 110.947 179.856 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.604 ' HB3' HD13 ' A' ' 13' ' ' ILE . 2.2 mtpt -67.53 -33.91 76.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 1.43 111.129 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.905 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -70.16 -46.35 64.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 2.28 111.194 -179.8 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -54.47 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.75 111.224 -179.638 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -49.55 -43.11 45.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 2.89 110.477 -179.85 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.2 mm? -64.69 -38.28 90.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 1.38 110.169 179.258 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.905 HG23 ' O ' ' B' ' 24' ' ' ARG . 26.3 t -62.13 -46.16 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.79 110.395 179.465 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.93 -33.06 35.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 2.33 109.943 179.274 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -70.13 -30.3 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.696 -0.684 . . . . 2.39 110.318 179.14 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.557 ' HB3' HD12 ' A' ' 6' ' ' ILE . 49.2 p-80 -138.95 73.05 39.83 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.923 0.392 . . . . 3.18 110.975 179.579 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.15 171.45 15.93 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.533 2.156 . . . . 2.31 112.32 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.887 . . . . 5.81 111.433 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.791 0.329 . . . . 4.94 111.203 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 4' ' ' ASP . . . 161.2 -57.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.723 . . . . 3.04 112.512 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.64 93.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.761 -0.733 . . . . 1.84 112.31 179.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 2' ' ' GLY . 32.8 m-20 -158.54 -80.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.508 . . . . 2.71 110.99 -179.17 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.69 -43.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.479 -0.782 . . . . 2.64 109.401 179.642 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.688 ' CG2' HD23 ' B' ' 27' ' ' LEU . 1.7 mt -66.34 -51.72 55.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.648 -0.706 . . . . 1.8 109.707 178.795 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.02 -32.95 55.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.14 -0.936 . . . . 2.15 110.957 179.745 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -79.87 -36.54 36.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 2.21 110.339 179.602 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -61.7 -36.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.881 -0.6 . . . . 2.42 110.782 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 17.5 pt -70.97 -43.13 76.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.076 179.95 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' N ' HG13 ' A' ' 10' ' ' ILE . 5.4 t0 -50.27 -34.43 23.32 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.35 0.595 . . . . 1.48 109.789 179.54 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -46.24 76.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.313 -0.858 . . . . 1.41 109.271 178.694 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.642 HG22 HD11 ' A' ' 17' ' ' ILE . 26.4 mt -61.0 -46.31 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.485 -0.78 . . . . 0.48 110.129 178.888 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.955 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.38 -32.7 7.92 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.347 -0.388 . . . . 1.29 110.985 179.539 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.53 -29.54 59.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 1.11 110.399 179.523 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD12 ' B' ' 20' ' ' LEU . 18.9 mt-10 -83.93 -33.83 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.837 -0.62 . . . . 2.07 110.883 -179.772 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.955 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -64.54 -34.17 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.94 110.737 179.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.72 -36.34 43.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.775 -0.648 . . . . 0.66 111.284 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -54.78 -44.51 73.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.34 -0.391 . . . . 1.79 110.923 -179.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' B' ' 20' ' ' LEU . 9.0 mt -67.88 -52.28 38.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.63 111.068 179.921 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -50.79 -30.87 15.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 1.99 111.095 -179.854 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.44 -31.63 60.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.65 110.909 179.875 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -72.85 -36.32 67.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 1.53 111.08 179.982 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.883 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -67.27 -43.68 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 2.89 111.02 -179.841 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -55.17 24.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.81 111.256 -179.804 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -48.47 -41.99 31.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.991 0.424 . . . . 2.54 110.537 -179.859 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD11 ' HE2' ' B' ' 9' ' ' LYS . 3.3 mm? -64.64 -38.78 92.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 1.35 110.015 179.195 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 24' ' ' ARG . 32.7 t -62.46 -46.89 95.34 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 CA-C-N 116.148 -0.478 . . . . 0.79 110.383 179.402 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -52.2 -30.68 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.841 -0.618 . . . . 2.23 109.999 179.15 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -72.13 -30.37 64.97 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.642 -0.708 . . . . 2.29 110.368 179.172 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' HB3' HD12 ' B' ' 6' ' ' ILE . 52.4 p-80 -138.52 70.24 45.59 Favored Pre-proline 0 C--O 1.231 0.114 0 CA-C-N 116.3 -0.409 . . . . 2.47 111.054 179.568 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.85 -168.08 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.564 2.176 . . . . 2.23 112.366 179.924 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 5.58 110.886 179.954 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.761 0.315 . . . . 5.51 110.926 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' B' ' 8' ' ' GLN . . . 70.07 25.19 75.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 3.11 112.54 -179.968 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.27 -22.73 30.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.558 -0.83 . . . . 1.66 112.06 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.9 14.0 4.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 2.59 111.18 179.757 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 70.65 20.01 5.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.463 0.649 . . . . 2.22 109.764 -178.764 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.521 HD12 ' HB3' ' A' ' 31' ' ' HIS . 8.8 mt -136.28 -47.18 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.927 -1.033 . . . . 1.57 108.98 179.761 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.413 ' O ' HG13 ' B' ' 10' ' ' ILE . 1.1 tt0 -50.05 -25.62 3.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.682 -1.145 . . . . 1.94 110.48 178.552 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.427 ' HB2' ' CA ' ' B' ' 2' ' ' GLY . 7.3 tm0? -78.24 -42.98 29.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.927 -0.579 . . . . 2.22 109.954 179.318 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 27' ' ' LEU . 2.1 ttpp -58.36 -39.3 79.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.696 -0.684 . . . . 2.37 110.816 179.765 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.6 pt -69.06 -42.88 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 1.11 110.985 179.876 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -47.99 -34.34 9.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.35 0.595 . . . . 1.51 109.888 179.529 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -68.04 -48.45 65.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.382 -0.826 . . . . 1.44 109.497 178.846 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' B' ' 17' ' ' ILE . 36.3 mt -59.61 -47.58 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.766 -0.652 . . . . 0.55 110.332 179.022 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.951 ' HA ' HD12 ' B' ' 17' ' ' ILE . 3.7 t0 -49.08 -32.87 10.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.314 -0.403 . . . . 1.32 111.021 179.574 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -74.82 -27.77 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 1.19 110.291 179.532 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 18.3 mm-40 -85.61 -36.03 20.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.837 -0.619 . . . . 2.03 110.853 -179.854 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.8 mt -62.23 -33.07 56.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.06 110.652 179.86 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -37.15 28.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 0.58 111.118 -179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -54.34 -43.41 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.931 -179.983 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 20' ' ' LEU . 8.8 mt -70.17 -50.9 35.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.63 110.942 179.885 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -50.56 -38.47 45.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.98 111.061 -179.884 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.41 -30.41 67.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.62 110.845 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.639 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -68.85 -33.38 73.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 1.43 110.958 179.954 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.93 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.11 -41.82 66.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 2.28 111.254 -179.82 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -56.76 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.75 111.518 -179.464 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -41.92 35.92 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.033 0.444 . . . . 2.89 110.356 -179.733 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.688 HD23 ' CG2' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.93 -39.37 94.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.899 -0.591 . . . . 1.38 109.782 178.88 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.93 HG23 ' O ' ' B' ' 24' ' ' ARG . 33.5 t -63.28 -44.96 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.79 110.171 179.215 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -51.51 -29.05 15.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.826 -0.625 . . . . 2.33 110.012 179.186 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.35 -30.55 53.92 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.681 -0.691 . . . . 2.39 110.594 179.324 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.479 ' CE1' HG22 ' A' ' 6' ' ' ILE . 46.1 p-80 -138.33 60.01 19.92 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.311 -0.404 . . . . 3.18 111.084 179.774 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.22 -84.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.488 2.125 . . . . 2.31 112.334 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.2 -0.905 . . . . 5.81 111.167 179.962 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.801 0.334 . . . . 4.94 111.115 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.55 139.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.72 . . . . 3.04 112.524 179.988 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.21 -68.41 1.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.762 . . . . 1.84 112.488 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.88 14.3 32.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.677 0.275 . . . . 2.71 111.377 179.956 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -52.73 -29.94 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 2.64 110.081 179.553 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.6 mt -78.49 -44.49 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.451 -0.795 . . . . 1.8 110.201 179.236 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 10' ' ' ILE . 26.0 tt0 -56.17 -27.11 53.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.668 -0.696 . . . . 2.15 110.745 179.408 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -77.45 -42.51 35.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.203 0.525 . . . . 2.21 110.136 179.452 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -40.39 91.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.704 -0.68 . . . . 2.42 110.634 179.691 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 18.8 pt -68.07 -41.37 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.95 111.08 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 10' ' ' ILE . 72.9 m-20 -49.32 -35.37 18.11 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.505 0.669 . . . . 1.48 109.553 179.28 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 15.2 t70 -68.79 -39.71 80.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 1.41 109.017 178.446 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.677 HG22 HD11 ' A' ' 17' ' ' ILE . 28.0 mt -62.16 -50.84 78.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 0.48 110.277 178.846 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.922 ' HA ' HD12 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -49.12 -32.2 9.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.306 -0.406 . . . . 1.29 111.074 179.739 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -27.73 60.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.5 . . . . 1.11 110.353 179.497 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 3.8 mm-40 -85.71 -36.48 20.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.703 -0.68 . . . . 2.07 110.951 -179.814 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -61.62 -33.81 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.94 110.602 179.76 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.48 -37.16 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.66 111.279 -179.833 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -44.3 71.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.79 110.938 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' B' ' 20' ' ' LEU . 8.8 mt -69.09 -50.33 49.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.63 110.982 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -41.72 46.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.308 -0.406 . . . . 1.99 111.167 -179.91 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -31.14 71.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.146 -0.479 . . . . 0.65 110.782 179.766 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.672 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.92 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 1.53 110.951 179.946 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.907 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -73.63 -46.95 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 2.89 111.21 -179.713 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.38 46.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.81 111.108 -179.727 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -45.35 62.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.127 0.489 . . . . 2.54 110.357 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.87 HD22 HG23 ' B' ' 6' ' ' ILE . 11.2 mt -60.42 -35.67 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.787 -0.642 . . . . 1.35 109.973 179.069 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 24' ' ' ARG . 39.3 t -65.8 -43.84 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 0.79 110.112 179.154 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.66 -29.13 16.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.901 -0.59 . . . . 2.23 109.997 179.168 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -76.8 -32.65 57.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.643 -0.708 . . . . 2.29 110.503 179.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.816 ' HB3' HD13 ' B' ' 6' ' ' ILE . 20.2 p-80 -135.1 60.68 41.59 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-O 120.879 0.371 . . . . 2.47 111.138 179.695 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.59 -28.3 10.07 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.547 2.165 . . . . 2.23 112.335 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 5.58 110.871 -179.989 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.805 0.336 . . . . 5.51 110.893 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.15 -110.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.752 . . . . 3.11 112.484 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.84 -146.77 50.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 1.66 112.481 179.952 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.73 13.47 20.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.281 . . . . 2.59 111.346 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -52.32 -30.74 29.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.202 0.525 . . . . 2.22 110.05 179.61 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.87 HG23 HD22 ' A' ' 27' ' ' LEU . 1.9 mp -75.82 -44.42 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 115.452 -0.795 . . . . 1.57 110.151 179.171 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.437 ' HG3' HD11 ' B' ' 10' ' ' ILE . 1.1 tt0 -54.95 -31.99 60.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.644 -0.707 . . . . 1.94 110.662 179.574 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 -40.18 55.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.945 -0.57 . . . . 2.22 110.236 179.396 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -37.93 89.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.704 -0.68 . . . . 2.37 110.744 179.788 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.527 HD12 ' NH2' ' A' ' 24' ' ' ARG . 19.3 pt -71.52 -43.57 71.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.155 179.909 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.403 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.0 OUTLIER -49.54 -35.07 19.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.397 0.617 . . . . 1.51 109.815 179.504 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.56 -46.29 76.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.275 -0.875 . . . . 1.44 109.282 178.752 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 23' ' ' LYS . 32.9 mt -60.77 -44.51 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.458 -0.792 . . . . 0.55 110.109 178.809 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.913 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.0 OUTLIER -48.61 -33.99 10.84 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.354 -0.385 . . . . 1.32 110.813 179.363 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -75.02 -28.44 60.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 1.19 110.437 179.607 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 mm-40 -85.01 -33.68 22.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 2.03 111.052 -179.96 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.6 mt -64.02 -34.24 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 1.06 110.615 179.808 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.5 39.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.709 . . . . 0.58 111.063 179.913 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -54.26 -41.71 69.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.58 111.076 -179.913 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 20' ' ' LEU . 10.8 mt -71.2 -53.9 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.63 111.009 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -51.84 -34.3 40.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.45 . . . . 1.98 111.234 -179.729 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.66 -27.32 58.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.62 111.249 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.499 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.3 mtpp -80.65 -32.75 36.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 1.43 111.115 -179.927 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.874 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.3 OUTLIER -70.65 -34.55 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 2.28 111.145 -179.734 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -56.03 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.75 111.119 -179.853 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.509 ' HD2' HD12 ' B' ' 27' ' ' LEU . 0.4 OUTLIER -48.17 -34.99 10.84 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.922 0.392 . . . . 2.89 110.468 -179.941 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' B' ' 26' ' ' ARG . 1.3 mp -68.99 -40.74 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.08 -0.509 . . . . 1.38 109.649 178.753 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.874 HG23 ' O ' ' B' ' 24' ' ' ARG . 38.4 t -61.21 -46.94 95.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.79 110.182 179.076 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -31.06 35.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 2.33 109.73 178.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -70.39 -30.52 67.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.618 -0.719 . . . . 2.39 110.324 179.143 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.608 ' CE1' HG22 ' A' ' 6' ' ' ILE . 42.2 p-80 -136.15 71.47 61.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-O 120.846 0.355 . . . . 3.18 111.026 179.538 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -77.92 -29.25 4.43 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.629 2.219 . . . . 2.31 112.373 179.942 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.279 -0.867 . . . . 5.81 110.904 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.793 0.33 . . . . 4.94 111.18 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.77 -56.39 0.45 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.674 -0.774 . . . . 3.04 112.5 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 68.75 -148.29 47.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 1.84 112.474 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -91.74 12.57 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 2.71 111.38 -179.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.13 -33.27 25.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.195 0.521 . . . . 2.64 109.764 179.611 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.773 HG23 ' CG ' ' B' ' 27' ' ' LEU . 37.8 mt -68.1 -46.57 81.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.326 -0.852 . . . . 1.8 109.897 178.838 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.73 -40.13 68.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.667 -0.697 . . . . 2.15 110.386 179.636 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -37.95 26.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.595 -0.729 . . . . 2.21 110.306 179.508 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -62.8 -30.57 71.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.711 -0.677 . . . . 2.42 110.942 179.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.685 HG23 HD23 ' B' ' 27' ' ' LEU . 22.4 pt -76.75 -46.19 30.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.866 -0.333 . . . . 0.95 111.41 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 10' ' ' ILE . 2.3 t0 -49.23 -34.13 14.27 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.519 0.676 . . . . 1.48 109.961 179.622 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.08 -49.53 50.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.209 -0.905 . . . . 1.41 110.106 179.081 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.842 HG22 HD11 ' A' ' 17' ' ' ILE . 21.0 mt -59.15 -48.83 85.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.839 -0.619 . . . . 0.48 110.569 179.329 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.94 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.1 t0 -47.87 -35.36 10.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 1.29 111.179 179.848 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.75 -27.61 61.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.11 110.516 179.643 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 12' ' ' ASP . 10.2 mm-40 -86.39 -34.97 20.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.877 -0.601 . . . . 2.07 111.03 -179.801 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.94 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.1 mt -62.87 -31.49 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.091 -0.504 . . . . 0.94 110.538 179.769 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.28 -39.89 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.641 -0.708 . . . . 0.66 111.103 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -41.49 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 1.79 111.016 -179.872 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -71.26 -51.72 22.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.63 111.07 179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.97 -35.9 26.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 1.99 111.155 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.34 -36.28 74.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.65 110.884 179.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.754 ' O ' HD13 ' A' ' 27' ' ' LEU . 13.1 mttm -66.56 -34.83 78.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.506 . . . . 1.53 110.952 179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.878 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -71.16 -41.01 70.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.406 . . . . 2.89 110.985 -179.886 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.81 111.341 -179.572 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.17 26.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.047 0.451 . . . . 2.54 110.64 -179.665 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -66.19 -38.93 89.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 178.868 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 24' ' ' ARG . 27.6 t -63.41 -43.64 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.914 -0.585 . . . . 0.79 109.988 178.874 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -52.9 -29.03 26.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.769 -0.651 . . . . 2.23 109.714 178.925 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -75.36 -31.41 60.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.634 -0.712 . . . . 2.29 110.471 179.215 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.625 ' CE1' HG22 ' B' ' 6' ' ' ILE . 24.1 p-80 -137.93 60.68 24.79 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.381 -0.372 . . . . 2.47 111.047 179.666 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.74 -42.65 0.11 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.706 2.271 . . . . 2.23 112.444 -179.936 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.012 -0.54 . . . . 5.58 110.945 179.926 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.854 0.359 . . . . 5.51 110.897 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.15 -111.4 3.35 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 3.11 112.402 -179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.97 -124.69 7.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 1.66 112.494 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.08 14.94 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.681 0.277 . . . . 2.59 111.335 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.88 -29.25 27.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.195 0.521 . . . . 2.22 110.039 179.634 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.625 HG22 ' CE1' ' A' ' 31' ' ' HIS . 1.9 mt -80.71 -44.89 21.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.409 -0.814 . . . . 1.57 110.201 179.22 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.94 -27.89 54.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.621 -0.718 . . . . 1.94 110.67 179.566 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -79.74 -42.85 23.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 2.22 110.121 179.468 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.509 ' HE2' HD21 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -60.46 -36.56 78.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 2.37 110.67 179.64 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 17.9 pt -70.38 -43.13 78.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.326 -0.397 . . . . 1.11 111.041 179.814 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 10' ' ' ILE . 1.7 m-20 -48.97 -34.42 12.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.344 0.593 . . . . 1.51 109.724 179.52 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' B' ' 16' ' ' GLU . 1.1 m-20 -67.42 -47.04 71.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.267 -0.878 . . . . 1.44 109.539 178.777 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.699 HG22 HD11 ' B' ' 17' ' ' ILE . 37.5 mt -61.0 -47.37 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.651 -0.704 . . . . 0.55 110.279 179.036 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.92 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.7 t70 -48.77 -32.29 8.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 1.32 110.975 179.579 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -75.93 -28.66 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.391 179.589 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.37 -34.22 23.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.902 -0.59 . . . . 2.03 110.784 -179.982 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.9 mt -64.48 -33.63 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 1.06 110.704 179.913 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.97 -36.93 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.58 111.258 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -54.33 -46.1 72.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 1.58 110.854 -179.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.711 HD11 HD11 ' A' ' 20' ' ' LEU . 10.4 mt -66.28 -49.39 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.63 110.801 179.837 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -50.56 -42.03 54.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.1 -179.867 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.62 111.073 179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -59.56 -43.41 93.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 1.43 111.001 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.909 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -67.99 -40.76 83.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.186 -0.461 . . . . 2.28 110.892 -179.947 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 2.3 m -61.38 -54.37 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.75 111.24 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.466 ' HG3' HD13 ' B' ' 27' ' ' LEU . 3.6 ptm85 -49.94 -37.58 32.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.994 0.426 . . . . 2.89 110.772 -179.761 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.773 ' CG ' HG23 ' A' ' 6' ' ' ILE . 9.1 mp -78.72 -31.92 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 1.38 110.495 179.239 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.909 HG23 ' O ' ' B' ' 24' ' ' ARG . 81.6 t -68.82 -56.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.917 0.389 . . . . 0.79 110.225 179.494 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -52.6 -35.74 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 2.33 109.745 179.207 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . 0.424 ' O ' ' HD2' ' B' ' 32' ' ' PRO . 12.4 tp60 -72.62 -26.46 61.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.477 -0.783 . . . . 2.39 110.041 178.739 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.537 ' CE1' ' HB ' ' A' ' 6' ' ' ILE . 1.2 m80 -107.85 62.85 0.23 Allowed Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.754 -0.657 . . . . 3.18 111.502 179.869 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' O ' ' B' ' 30' ' ' GLN . 38.2 Cg_endo -66.07 -31.49 45.74 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.38 2.053 . . . . 2.31 112.254 179.899 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.221 -0.895 . . . . 5.81 110.889 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.853 0.358 . . . . 4.94 111.199 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 3.04 112.487 -179.961 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 125.37 -119.59 3.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 1.84 112.558 -179.952 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -108.97 15.33 23.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.651 0.262 . . . . 2.71 111.303 -179.979 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -53.21 -28.79 28.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.521 . . . . 2.64 110.046 179.623 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' B' ' 31' ' ' HIS . 22.5 mt -81.17 -45.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.424 -0.807 . . . . 1.8 110.156 179.194 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.04 -23.75 35.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.643 -0.708 . . . . 2.15 110.783 179.558 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.92 -41.15 37.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.05 0.452 . . . . 2.21 110.301 179.606 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -39.31 89.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.786 -0.643 . . . . 2.42 110.753 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' ASP . 18.8 pt -68.67 -42.95 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.95 111.101 179.794 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -49.9 -34.47 20.4 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.374 0.607 . . . . 1.48 109.956 179.588 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -66.87 -46.64 74.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 1.41 109.328 178.828 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.694 HG22 HD11 ' A' ' 17' ' ' ILE . 22.9 mt -60.82 -46.01 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 0.48 110.143 178.842 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.911 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.6 t0 -48.94 -32.3 8.83 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.188 -0.46 . . . . 1.29 110.906 179.496 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -28.73 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.11 110.276 179.549 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' HD12 ' B' ' 20' ' ' LEU . 3.2 mm-40 -84.5 -33.76 23.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 2.07 110.947 -179.969 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 14' ' ' ASP . 10.2 mt -65.18 -33.77 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.94 110.77 179.919 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -36.45 40.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.66 111.123 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -46.11 72.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.875 0.369 . . . . 1.79 110.783 179.929 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' B' ' 20' ' ' LEU . 10.3 mt -65.94 -49.99 65.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.713 179.674 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -51.64 -42.25 61.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 1.99 111.025 -179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.22 82.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 0.65 111.134 179.974 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB3' HD13 ' B' ' 13' ' ' ILE . 12.0 mtpp -60.98 -40.43 93.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 1.53 110.904 179.894 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.954 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -69.99 -41.28 74.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.163 -0.471 . . . . 2.89 110.796 179.878 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -61.27 -53.26 59.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.81 111.237 -179.798 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG3' ' CD1' ' A' ' 27' ' ' LEU . 2.7 ptm85 -50.01 -40.35 44.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 2.54 110.669 -179.807 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.78 ' CG ' HG23 ' B' ' 6' ' ' ILE . 8.6 mp -73.32 -32.55 64.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.453 179.24 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 24' ' ' ARG . 63.4 t -68.85 -52.49 34.32 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.864 0.364 . . . . 0.79 110.24 179.363 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -53.48 -30.67 42.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 2.23 109.726 179.157 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.448 ' O ' ' HD2' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -73.21 -24.61 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.485 -0.779 . . . . 2.29 110.109 178.837 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.618 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . 0.3 OUTLIER -106.56 60.01 0.18 Allowed Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 115.906 -0.588 . . . . 2.47 111.822 -179.865 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' A' ' 30' ' ' GLN . 55.7 Cg_endo -69.31 -35.69 13.48 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.193 1.928 . . . . 2.23 112.334 179.958 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.974 -0.557 . . . . 5.58 110.897 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 5.51 110.894 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.61 -70.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 3.11 112.498 179.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.67 45.17 4.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.738 . . . . 1.66 112.561 -179.992 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 65.22 13.21 8.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.568 0.223 . . . . 2.59 111.567 179.979 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' B' ' 9' ' ' LYS . 10.5 t-20 -49.3 -34.72 16.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.117 0.484 . . . . 2.22 110.162 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.78 HG23 ' CG ' ' A' ' 27' ' ' LEU . 39.6 mt -69.1 -48.8 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.519 -0.764 . . . . 1.57 110.427 179.215 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -52.98 -38.06 61.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.94 110.833 -179.93 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -80.89 -39.98 25.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 2.22 110.485 179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 5' ' ' ASN . 0.0 OUTLIER -60.52 -32.05 71.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 2.37 110.86 179.937 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.729 HG23 HD23 ' A' ' 27' ' ' LEU . 19.3 pt -75.16 -45.54 41.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.892 -0.323 . . . . 1.11 111.406 -179.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.32 -34.51 10.65 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.504 0.668 . . . . 1.51 110.164 179.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.43 -52.25 34.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.285 -0.87 . . . . 1.44 110.077 179.172 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.792 HG22 HD11 ' B' ' 17' ' ' ILE . 52.2 mt -58.2 -47.73 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.832 -0.622 . . . . 0.55 110.497 179.397 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.906 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.8 t0 -47.11 -35.3 6.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 1.32 111.164 179.79 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -29.27 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 1.19 110.394 179.673 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.7 mt-10 -85.78 -34.57 21.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.623 . . . . 2.03 111.205 -179.649 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.906 HD12 ' HA ' ' B' ' 14' ' ' ASP . 10.2 mt -63.26 -31.57 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.074 0.464 . . . . 1.06 110.571 179.905 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.32 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.725 -0.671 . . . . 0.58 111.342 -179.745 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -53.15 -43.8 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.407 -0.36 . . . . 1.58 110.945 -179.874 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.715 HD11 HD11 ' A' ' 20' ' ' LEU . 9.7 mt -68.53 -52.68 29.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.63 111.024 179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -50.39 -32.08 16.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.431 . . . . 1.98 111.207 -179.758 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.55 65.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.62 110.919 179.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.596 ' O ' HD12 ' B' ' 27' ' ' LEU . 55.3 mttt -68.21 -31.74 71.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.43 111.101 -179.895 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.912 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.5 OUTLIER -72.23 -43.38 64.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 2.28 111.003 -179.926 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -55.3 28.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.75 111.286 -179.675 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' B' ' 27' ' ' LEU . 8.4 ptm180 -49.22 -42.49 40.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.121 0.486 . . . . 2.89 110.419 -179.777 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 23' ' ' LYS . 1.6 mt -64.15 -38.65 91.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.808 -0.633 . . . . 1.38 110.075 179.17 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.912 HG23 ' O ' ' B' ' 24' ' ' ARG . 29.6 t -62.59 -42.38 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 CA-C-N 116.172 -0.467 . . . . 0.79 110.219 179.255 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -33.32 52.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 2.33 109.797 179.055 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -70.27 -30.98 68.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.561 -0.745 . . . . 2.39 110.245 179.129 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' A' ' 6' ' ' ILE . 37.4 p-80 -140.1 71.97 33.84 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.346 -0.388 . . . . 3.18 110.924 179.52 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -77.99 -28.92 4.59 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.65 2.234 . . . . 2.31 112.321 -179.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.233 -0.889 . . . . 5.81 110.846 -179.945 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.835 0.35 . . . . 4.94 111.162 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.16 -140.48 15.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 3.04 112.503 179.996 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.54 43.57 28.36 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.84 -0.695 . . . . 1.84 112.322 -179.87 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -132.92 -84.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.046 0.451 . . . . 2.71 111.082 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -144.74 -44.86 0.24 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 2.64 109.563 179.705 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.618 HG22 ' CE1' ' B' ' 31' ' ' HIS . 3.1 mt -63.64 -49.43 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.629 -0.714 . . . . 1.8 109.721 178.851 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -53.18 -36.03 60.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 2.15 111.176 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -75.27 -35.03 61.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.206 -0.452 . . . . 2.21 110.578 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -58.99 -41.29 87.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.025 -0.534 . . . . 2.42 110.839 179.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' B' ' 27' ' ' LEU . 16.4 pt -70.81 -42.59 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.265 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -34.72 8.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.441 0.639 . . . . 1.48 110.057 179.632 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -68.6 -50.28 52.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.354 -0.839 . . . . 1.41 109.68 178.997 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' B' ' 23' ' ' LYS . 37.0 mt -58.73 -48.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.645 . . . . 0.48 110.575 179.186 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' A' ' 17' ' ' ILE . 2.7 t0 -48.3 -33.62 9.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.321 -0.4 . . . . 1.29 111.124 179.727 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.47 -28.42 61.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 1.11 110.322 179.665 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 12.9 mt-10 -85.46 -34.64 21.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.825 -0.625 . . . . 2.07 110.962 -179.914 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 14' ' ' ASP . 11.3 mt -63.66 -31.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.94 110.683 179.85 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.61 -39.35 27.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.66 111.337 -179.847 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.65 -43.54 68.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.31 -0.405 . . . . 1.79 111.066 -179.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' B' ' 20' ' ' LEU . 10.8 mt -69.55 -54.28 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.63 111.096 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -51.63 -34.47 37.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.244 -0.434 . . . . 1.99 111.206 -179.67 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.1 -30.46 65.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.416 . . . . 0.65 111.087 179.94 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HB3' HD13 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -71.69 -36.06 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 1.53 111.139 -179.902 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -68.49 -45.73 71.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 2.89 111.259 -179.746 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.52 -55.48 32.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.81 111.197 -179.564 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 16.0 ptm180 -49.39 -42.58 42.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.131 0.491 . . . . 2.54 110.454 -179.9 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' ND1' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -64.91 -39.14 93.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.753 -0.658 . . . . 1.35 110.141 179.155 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 24' ' ' ARG . 25.6 t -61.83 -47.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.393 . . . . 0.79 110.605 179.578 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.83 -33.56 24.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 2.23 110.014 179.382 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.54 -30.7 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.624 -0.717 . . . . 2.29 110.43 179.271 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' HB3' HD12 ' B' ' 6' ' ' ILE . 48.3 p-80 -141.11 72.66 27.18 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 2.47 110.974 179.769 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.46 -26.7 47.33 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.532 2.155 . . . . 2.23 112.276 179.895 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 5.58 110.865 -179.984 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.728 0.299 . . . . 5.51 110.944 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.477 ' N ' ' HB2' ' B' ' 8' ' ' GLN . . . -114.02 -43.96 0.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.859 -0.686 . . . . 3.11 112.311 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.47 8.14 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.625 -0.798 . . . . 1.66 111.698 -179.332 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.404 ' O ' HG13 ' B' ' 6' ' ' ILE . 27.4 m-20 -126.22 2.29 7.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.638 0.256 . . . . 2.59 111.338 179.655 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.83 32.22 1.95 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.653 0.74 . . . . 2.22 109.214 -178.756 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 31' ' ' HIS . 3.3 mt -150.45 -52.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.543 -1.208 . . . . 1.57 108.658 -179.342 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -50.31 -24.97 3.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.282 -1.326 . . . . 1.94 110.337 178.504 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.477 ' HB2' ' N ' ' B' ' 2' ' ' GLY . 4.4 tm0? -75.12 -47.9 26.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 2.22 110.454 179.394 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -57.63 -37.05 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.665 -0.698 . . . . 2.37 111.188 -179.713 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.433 HG13 ' N ' ' B' ' 11' ' ' ASP . 22.1 pt -71.12 -43.44 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.494 -0.321 . . . . 1.11 111.481 -179.841 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.433 ' N ' HG13 ' B' ' 10' ' ' ILE . 4.8 t0 -49.69 -34.66 19.25 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.386 0.612 . . . . 1.51 109.986 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.8 OUTLIER -67.46 -48.07 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.346 -0.843 . . . . 1.44 109.594 179.02 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.74 HD13 ' HB3' ' A' ' 23' ' ' LYS . 21.6 mt -59.99 -46.91 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.516 -0.765 . . . . 0.55 110.371 179.162 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.952 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -47.98 -34.3 9.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.378 . . . . 1.32 111.099 179.79 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.46 -29.21 61.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.19 110.372 179.685 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 13.2 mt-10 -84.42 -33.8 23.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 2.03 111.118 -179.805 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -64.55 -32.41 57.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.478 . . . . 1.06 110.716 179.903 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.28 -39.14 33.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.58 111.306 -179.668 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -54.19 -44.26 71.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.38 -0.373 . . . . 1.58 111.167 -179.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.676 HD11 HD11 ' A' ' 20' ' ' LEU . 10.9 mt -67.79 -52.96 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.63 111.179 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.243 -0.435 . . . . 1.98 111.201 -179.718 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.52 67.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.62 111.085 179.925 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.78 ' HB3' HD13 ' A' ' 13' ' ' ILE . 15.0 mtpt -69.47 -35.61 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.43 111.101 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.882 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -69.28 -44.55 71.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 2.28 111.142 -179.815 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -53.55 53.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.75 111.268 -179.746 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -50.32 -43.32 53.81 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.031 0.443 . . . . 2.89 110.607 -179.762 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.537 HD12 ' CG2' ' A' ' 6' ' ' ILE . 3.4 mm? -64.5 -35.71 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 1.38 110.202 179.33 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 24' ' ' ARG . 39.8 t -63.88 -45.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.79 110.323 179.4 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.38 -32.57 39.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.9 -0.591 . . . . 2.33 109.767 179.111 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -71.12 -30.06 66.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.636 -0.711 . . . . 2.39 110.307 179.118 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.618 ' CE1' HG22 ' A' ' 6' ' ' ILE . 46.8 p-80 -146.39 69.2 12.59 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.18 111.059 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.26 177.51 4.46 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.56 2.174 . . . . 2.31 112.293 -179.999 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.308 -0.854 . . . . 5.81 110.861 179.989 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.773 0.32 . . . . 4.94 111.207 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 8' ' ' GLN . . . 127.38 119.34 2.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.719 . . . . 3.04 112.626 179.964 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -49.97 -28.07 11.53 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.364 -0.922 . . . . 1.84 111.476 179.074 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.68 -16.83 13.52 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.873 0.368 . . . . 2.71 110.746 179.221 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.98 30.48 0.91 Allowed 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.689 0.757 . . . . 2.64 109.025 -178.761 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.3 mt -152.76 -56.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.557 -1.201 . . . . 1.8 109.063 -178.997 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -51.47 -26.76 8.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.588 -1.187 . . . . 2.15 110.424 178.683 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' HB2' ' HA2' ' A' ' 2' ' ' GLY . 3.4 tp60 -80.96 -43.25 20.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.216 179.412 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' CD ' HD21 ' B' ' 27' ' ' LEU . 10.8 ttmm -59.25 -34.08 71.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.669 -0.696 . . . . 2.42 110.838 179.782 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.499 HG23 HD23 ' B' ' 27' ' ' LEU . 19.5 pt -72.68 -43.91 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.3 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 10' ' ' ILE . 1.5 m-20 -48.84 -34.82 13.24 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.454 0.645 . . . . 1.48 109.941 179.66 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 16' ' ' GLU . 2.6 t0 -67.94 -46.98 69.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.201 -0.909 . . . . 1.41 109.626 178.891 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.734 HG22 HD11 ' A' ' 17' ' ' ILE . 40.5 mt -61.21 -47.94 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.697 -0.683 . . . . 0.48 110.523 179.269 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.977 ' HA ' HD12 ' A' ' 17' ' ' ILE . 3.7 t0 -47.49 -35.0 8.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.87 0.367 . . . . 1.29 111.239 179.927 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -28.83 60.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.145 0.498 . . . . 1.11 110.525 179.656 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 3.1 mm-40 -84.6 -33.14 23.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.783 -0.644 . . . . 2.07 111.009 -179.799 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 14' ' ' ASP . 12.8 mt -64.49 -33.13 60.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.705 179.826 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.58 -39.81 36.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.656 -0.702 . . . . 0.66 111.43 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -44.04 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 1.79 111.181 -179.844 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' B' ' 20' ' ' LEU . 10.6 mt -67.61 -53.5 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.63 111.233 -179.853 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -50.7 -31.03 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.99 111.254 -179.663 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.11 -33.52 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.377 -0.374 . . . . 0.65 111.241 179.995 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB3' HD13 ' B' ' 13' ' ' ILE . 20.4 mttm -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 1.53 111.2 -179.839 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.878 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -72.22 -43.67 64.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 2.89 111.208 -179.732 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -53.7 50.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.466 -0.333 . . . . 0.81 111.382 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -49.74 -43.6 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.052 0.453 . . . . 2.54 110.563 -179.763 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB3' ' CG2' ' B' ' 10' ' ' ILE . 0.5 OUTLIER -64.34 -36.53 84.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.886 -0.597 . . . . 1.35 110.199 179.307 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 24' ' ' ARG . 38.4 t -63.28 -44.58 99.23 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.79 110.251 179.348 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -33.6 45.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.933 -0.576 . . . . 2.23 109.674 179.064 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.43 -30.81 68.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.579 -0.737 . . . . 2.29 110.409 179.06 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.631 ' CE1' HG22 ' B' ' 6' ' ' ILE . 38.8 p-80 -145.32 82.13 9.92 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.277 -0.42 . . . . 2.47 110.986 179.492 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.72 62.01 3.75 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.594 2.196 . . . . 2.23 112.293 -179.945 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 5.58 110.851 179.911 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 43.2 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.745 0.307 . . . . 5.51 110.896 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.35 -83.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 3.11 112.48 179.922 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 45.28 40.31 7.7 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.974 -0.631 . . . . 1.66 112.381 -179.91 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -123.3 -84.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.044 0.45 . . . . 2.59 110.917 -179.266 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -140.53 -44.71 0.4 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.758 -0.656 . . . . 2.22 109.392 179.596 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.631 HG22 ' CE1' ' A' ' 31' ' ' HIS . 2.3 mt -63.43 -49.97 80.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.299 0 CA-C-N 115.635 -0.711 . . . . 1.57 109.637 178.538 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -34.31 65.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.058 -0.974 . . . . 1.94 110.915 179.787 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.93 -35.73 64.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 2.22 110.391 179.67 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.442 ' HD2' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.95 -41.95 97.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 2.37 110.738 179.772 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 27' ' ' LEU . 18.3 pt -70.63 -42.89 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.11 111.21 179.932 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.411 ' N ' HG13 ' B' ' 10' ' ' ILE . 17.8 t0 -47.94 -34.47 9.19 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.349 0.595 . . . . 1.51 109.983 179.72 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.4 OUTLIER -68.48 -50.1 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.385 -0.825 . . . . 1.44 109.718 178.901 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.763 HG22 HD11 ' B' ' 17' ' ' ILE . 36.0 mt -58.8 -48.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.415 179.148 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.941 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.7 t0 -48.69 -33.5 10.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 1.32 111.157 179.815 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -28.07 60.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.054 0.454 . . . . 1.19 110.361 179.531 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 19.2 mt-10 -85.7 -35.23 20.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 2.03 110.891 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.941 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.3 mt -63.0 -31.93 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.062 -0.517 . . . . 1.06 110.592 179.886 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 -38.13 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.58 111.031 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -54.06 -43.49 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 1.58 110.999 -179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 20' ' ' LEU . 10.6 mt -71.16 -52.84 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.63 111.01 179.92 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -52.59 -35.44 54.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.98 111.122 -179.721 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.17 -30.97 65.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.62 111.136 -179.924 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.672 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.3 OUTLIER -75.22 -35.25 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.43 111.079 -179.843 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.889 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -68.6 -44.04 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 2.28 111.21 -179.758 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -58.48 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.421 -0.354 . . . . 0.75 111.281 -179.649 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' NH1' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -47.53 -34.01 7.08 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.081 0.467 . . . . 2.89 110.509 -179.903 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.672 HD13 ' O ' ' B' ' 23' ' ' LYS . 4.9 mp -70.76 -41.89 71.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.94 -0.573 . . . . 1.38 109.769 178.847 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 24' ' ' ARG . 37.2 t -59.41 -49.14 84.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.998 -0.546 . . . . 0.79 110.57 179.39 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.74 -34.85 41.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 2.33 109.833 179.223 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -67.69 -29.64 68.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.39 110.432 179.128 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' A' ' 6' ' ' ILE . 54.0 p-80 -140.77 77.68 21.58 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.287 -0.415 . . . . 3.18 110.952 179.667 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.13 -26.89 42.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.59 2.193 . . . . 2.31 112.317 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.17 -0.919 . . . . 5.81 110.915 179.963 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.831 0.348 . . . . 4.94 111.165 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.41 -120.72 4.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 3.04 112.476 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 65.22 79.96 0.16 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 1.84 112.525 -179.964 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 62.56 16.91 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 2.71 111.385 179.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.25 -30.08 49.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.243 0.544 . . . . 2.64 110.103 179.636 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.605 HG22 ' CE1' ' B' ' 31' ' ' HIS . 2.1 mt -75.5 -45.76 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.375 -0.83 . . . . 1.8 110.297 179.269 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' HA ' HD11 ' A' ' 10' ' ' ILE . 1.6 tt0 -55.84 -26.16 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.664 -0.698 . . . . 2.15 110.771 179.53 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 -43.58 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 2.21 110.198 179.514 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -60.31 -40.83 91.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.65 -0.705 . . . . 2.42 110.76 179.7 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' NH2' ' B' ' 24' ' ' ARG . 14.5 pt -68.57 -42.77 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.95 111.046 179.913 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' HG13 ' A' ' 10' ' ' ILE . 8.6 t0 -47.98 -35.39 10.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.386 0.612 . . . . 1.48 109.88 179.516 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.29 -49.16 68.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.323 -0.853 . . . . 1.41 109.49 178.766 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 17' ' ' ILE . 39.3 mt -60.21 -47.27 92.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.649 -0.705 . . . . 0.48 110.36 179.108 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 17' ' ' ILE . 1.6 t70 -48.06 -32.16 6.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.375 -0.375 . . . . 1.29 111.025 179.738 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -76.24 -29.29 57.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.382 179.595 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' HD12 ' B' ' 20' ' ' LEU . 13.8 mt-10 -84.38 -34.33 23.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.921 -0.581 . . . . 2.07 110.978 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.898 HD12 ' HA ' ' A' ' 14' ' ' ASP . 9.0 mt -65.24 -33.03 60.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 0.94 110.768 179.946 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.81 -37.64 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.842 -0.617 . . . . 0.66 111.251 -179.784 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -54.31 -46.5 72.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 1.79 110.879 -179.994 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' B' ' 20' ' ' LEU . 11.0 mt -65.4 -50.24 66.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.024 -0.534 . . . . 0.63 110.95 179.819 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -53.16 -42.3 66.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 1.99 111.267 -179.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.75 79.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.65 111.274 -179.971 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' HD13 ' B' ' 13' ' ' ILE . 13.4 mtpt -65.15 -36.78 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 1.53 111.141 -179.851 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.932 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -72.34 -46.21 56.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.393 . . . . 2.89 110.915 -179.943 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -50.54 71.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.1 -0.5 . . . . 0.81 111.285 -179.585 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 27' ' ' LEU . 12.1 ptt180 -54.08 -42.14 68.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 2.54 110.607 -179.85 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.796 ' HG ' HG23 ' B' ' 6' ' ' ILE . 7.5 mp -73.36 -31.17 63.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 1.35 110.48 179.002 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 24' ' ' ARG . 94.4 t -68.86 -49.87 59.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-N 116.391 -0.368 . . . . 0.79 110.442 179.468 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -53.41 -35.77 60.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.3 0.571 . . . . 2.23 109.644 179.192 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' O ' ' HD2' ' A' ' 32' ' ' PRO . 11.4 tp-100 -70.24 -24.45 63.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.345 -0.843 . . . . 2.29 110.044 178.702 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.63 ' CE1' ' HB ' ' B' ' 6' ' ' ILE . 0.9 OUTLIER -106.55 62.72 0.18 Allowed Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.819 -0.628 . . . . 2.47 111.532 -179.847 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' A' ' 30' ' ' GLN . 35.0 Cg_endo -64.87 -26.95 59.18 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.408 2.072 . . . . 2.23 112.248 -179.987 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 5.58 110.863 -179.998 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.819 0.343 . . . . 5.51 110.932 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.13 139.2 10.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 3.11 112.482 179.965 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.61 58.3 0.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 1.66 112.468 -179.966 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 65.5 13.0 8.6 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.612 0.226 . . . . 2.59 111.612 -179.981 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.43 -29.92 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.06 0.457 . . . . 2.22 110.288 179.713 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.796 HG23 ' HG ' ' A' ' 27' ' ' LEU . 66.4 mt -76.29 -50.16 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.636 -0.711 . . . . 1.57 110.605 179.396 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.32 -39.13 63.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 1.94 111.083 -179.669 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -81.34 -39.32 25.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.009 -0.541 . . . . 2.22 110.538 179.872 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.57 ' HD2' HD21 ' A' ' 27' ' ' LEU . 10.4 ttmm -61.28 -37.69 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 2.37 110.746 179.906 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.732 HG23 HD23 ' A' ' 27' ' ' LEU . 13.9 pt -69.0 -46.52 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 1.11 111.448 179.981 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -49.87 -33.87 18.36 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.498 0.665 . . . . 1.51 110.198 179.821 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.68 -50.46 50.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.323 -0.853 . . . . 1.44 109.888 179.183 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.779 HG22 HD11 ' B' ' 17' ' ' ILE . 46.5 mt -58.4 -47.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 0.55 110.381 179.278 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.881 ' HA ' HD12 ' B' ' 17' ' ' ILE . 2.5 t0 -47.19 -35.84 7.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 1.32 111.234 179.845 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -28.89 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 1.19 110.376 179.666 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' B' ' 20' ' ' LEU . 12.8 mm-40 -86.18 -34.49 20.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.895 -0.593 . . . . 2.03 111.322 -179.61 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' B' ' 14' ' ' ASP . 11.1 mt -63.51 -31.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 1.06 110.631 179.889 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -40.53 24.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.58 111.257 -179.78 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.37 -44.1 68.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 1.58 110.958 -179.965 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.692 HD11 HD11 ' A' ' 20' ' ' LEU . 9.3 mt -68.13 -53.11 27.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.63 110.981 -179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -50.46 -33.16 20.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.98 111.332 -179.75 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -38.31 76.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.62 111.151 -179.944 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' B' ' 20' ' ' LEU . 10.7 mttm -66.71 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 1.43 111.197 -179.865 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.888 ' O ' HG23 ' B' ' 28' ' ' VAL . 0.6 OUTLIER -72.59 -44.49 61.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 2.28 111.259 -179.787 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -53.98 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.75 111.295 -179.633 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -49.58 -44.16 46.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 2.89 110.485 -179.815 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.447 HD23 HG23 ' A' ' 10' ' ' ILE . 5.7 mp -63.74 -37.66 88.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.916 -0.584 . . . . 1.38 110.165 179.303 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 24' ' ' ARG . 34.9 t -62.15 -45.8 97.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.79 110.413 179.359 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.8 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 2.33 109.698 179.031 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -68.83 -32.12 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 2.39 110.249 179.151 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' A' ' 6' ' ' ILE . 22.1 p-80 -138.97 76.06 34.32 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.287 -0.415 . . . . 3.18 111.036 179.525 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.08 56.29 5.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.638 2.225 . . . . 2.31 112.416 -179.987 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 5.81 110.939 179.921 . . . . . . . . 1 1 . 1 stop_ save_