data_2nbm_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 2nbm _Structure_validation_residue.Date_analyzed 2017-03-07 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 ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.33 -36.7 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -61.23 -41.37 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -65.86 -13.65 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.61 -54.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.87 -37.62 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.52 -46.16 27.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -63.26 -32.74 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG21 ' A' ' 14' ' ' VAL . 89.4 mt -68.86 -46.82 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.8 -30.15 69.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -50.47 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 13.3 m -51.84 -43.42 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.37 -7.19 51.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.89 -139.54 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -147.21 144.79 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -124.87 153.51 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -113.14 104.09 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.91 147.55 23.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.98 125.85 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mm -95.51 109.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 116.82 10.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.1 157.17 46.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.28 67.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.0 m -86.62 -14.16 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.85 -128.17 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -152.6 116.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.01 111.15 19.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.66 147.0 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -145.43 147.48 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.67 132.0 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.08 137.19 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.04 138.29 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.77 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -44.04 -64.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -101.91 -166.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.22 73.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 166.55 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -145.04 135.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.83 155.82 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.8 140.53 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.93 -160.23 13.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.63 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.18 145.7 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.01 -27.84 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -170.24 77.47 0.62 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.59 59.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.52 -37.86 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.1 151.41 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -119.64 113.3 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.96 139.11 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 m -124.73 113.98 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -128.28 161.32 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.42 164.67 47.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -53.33 40.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.84 -50.59 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.63 -56.33 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -26.53 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -48.93 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.45 92.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.64 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -55.71 -29.11 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.39 -0.6 72.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.98 56.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.7 m -134.43 -59.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.22 169.56 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.7 p -117.41 151.58 36.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -50.47 -41.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.62 -41.55 98.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -53.38 55.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.98 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 tp -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -62.57 -35.81 80.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -69.85 -41.52 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 21.94 11.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -76.75 -33.07 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.4 mt -90.69 110.58 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -94.8 142.31 27.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 158.23 18.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -173.91 123.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 -110.97 2.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.99 73.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.65 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.53 -47.72 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -48.74 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.98 -28.26 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -30.57 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.32 -55.43 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.78 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.0 t -56.02 -28.51 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -64.39 -13.68 52.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.68 -54.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 HG13 ' CE2' ' A' ' 42' ' ' TRP . 33.3 mm -68.67 -36.96 76.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.97 -43.68 29.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -70.49 -32.7 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.82 -55.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.49 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.39 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -80.31 -40.97 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.55 -37.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.21 -24.19 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.43 -135.83 2.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.73 148.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -127.93 150.52 49.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -113.0 103.74 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -91.93 148.29 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.9 125.45 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -95.6 106.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -72.73 110.34 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 t -126.56 170.79 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.12 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -14.32 56.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.41 -125.39 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.53 115.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.08 110.81 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.35 144.54 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -141.55 146.36 36.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.75 129.93 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.28 138.15 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -112.12 139.45 47.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -42.87 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.78 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -103.5 -167.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.99 71.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 160.79 36.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -145.87 141.21 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.71 160.0 40.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -105.03 142.01 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.14 -158.06 14.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.83 118.23 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -54.19 146.93 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.9 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -169.57 76.07 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.45 53.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.56 -36.25 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 t -145.82 151.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 m -126.03 109.13 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -112.41 144.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -122.98 133.5 54.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 p -149.74 150.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.15 165.82 54.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -52.55 45.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.52 -55.66 10.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -52.29 -53.62 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -39.52 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -50.43 -50.98 50.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.05 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.2 mt -75.29 -62.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 p -55.87 -30.48 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.29 0.41 74.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 64.1 56.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.14 -60.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mt -92.09 169.86 10.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.2 p -120.06 153.71 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 m -51.16 -41.6 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.08 -41.86 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -54.33 40.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.98 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.54 -43.98 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -62.04 -34.09 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.11 -41.11 74.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.61 19.13 21.22 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.68 -33.16 58.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mt -93.15 122.88 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -92.23 148.76 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.71 149.35 31.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 t -173.32 136.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -109.39 3.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.48 76.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.338 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.09 -36.44 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.17 -47.93 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -54.0 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -28.86 58.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.95 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -52.81 -42.73 65.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.941 0.4 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.3 t -50.45 -37.26 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.26 -44.64 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.09 -15.77 57.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.42 -55.13 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.443 HG13 ' CE2' ' A' ' 42' ' ' TRP . 37.4 mm -66.92 -41.38 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -39.9 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -32.72 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.9 mt -70.19 -55.61 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.01 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.79 -31.54 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 HD12 ' A' ' 49' ' ' LEU . 42.8 t -62.91 -38.22 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.41 -6.07 79.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.085 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.95 -139.27 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -145.97 148.3 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.83 152.55 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -120.21 104.02 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.48 141.4 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.4 129.41 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.1 mm -86.77 155.85 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -117.35 106.93 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -129.72 168.04 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -22.67 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -16.59 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.75 -124.17 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.23 117.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -86.98 112.11 21.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -87.54 141.55 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -138.9 149.73 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -114.59 132.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -132.91 139.39 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.8 142.71 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.35 -42.06 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -44.42 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -105.55 -166.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD12 HG13 ' A' ' 14' ' ' VAL . 2.4 mm? -113.81 75.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 164.02 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.6 t -147.59 141.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.33 159.87 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -106.18 143.09 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.79 -157.78 14.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 p -114.0 116.54 52.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.83 148.28 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.84 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.77 74.37 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.44 49.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.35 -39.7 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 t -146.05 151.35 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -117.05 100.97 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -99.25 145.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -123.08 129.0 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.88 150.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.52 172.08 51.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -56.76 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.5 -53.21 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.92 -53.54 47.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 ttt -64.3 -24.44 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.04 -48.04 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.69 71.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.8 mt -79.72 -63.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 p -56.77 -31.76 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.9 -0.96 66.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.12 56.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.41 -60.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 mt -88.76 169.29 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.3 p -114.29 149.73 35.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.4 t -49.17 -43.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.95 95.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -54.29 37.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.18 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.58 -45.15 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -61.91 -37.49 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.39 -41.92 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.44 33.51 5.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -88.4 -33.09 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 mt -100.66 112.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.22 148.73 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 163.2 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -173.7 143.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.38 -108.0 3.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 73.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.69 -36.69 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -46.9 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -55.54 16.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -28.58 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -28.99 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.56 -35.35 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -36.91 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -42.0 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -64.62 -14.89 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mm -82.68 -54.31 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.416 HG13 ' CE2' ' A' ' 42' ' ' TRP . 36.5 mm -68.14 -39.45 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.89 -45.34 30.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -70.68 -31.55 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.54 -55.84 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -45.42 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.05 -42.25 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -80.55 -34.14 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.69 -34.33 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.92 -5.23 90.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.41 -141.94 4.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -145.63 147.45 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.52 154.55 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -122.2 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -102.35 142.98 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -125.85 130.7 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -94.95 105.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.92 104.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.0 p -109.78 154.56 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.21 -17.22 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -98.94 -17.1 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.34 -134.47 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -148.08 116.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.48 111.01 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -86.04 142.48 28.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.5 m95 -138.22 147.7 44.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -113.12 131.8 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.94 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.34 140.62 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -42.25 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -44.16 -64.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -105.62 -168.39 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -112.18 69.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 161.64 29.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.93 140.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.11 159.08 42.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -105.42 142.33 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.85 -157.52 14.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.21 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.425 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.3 t80 -52.36 148.78 6.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.33 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -166.39 73.85 1.18 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.7 Cg_endo -69.77 159.86 51.82 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -74.9 -39.49 61.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.5 t -146.44 151.68 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -123.27 110.51 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.92 143.07 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -123.02 130.79 53.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.12 165.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.3 161.48 28.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -61.02 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.32 -43.26 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.98 -53.89 53.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -23.96 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -45.85 75.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.83 95.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.65 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.54 -28.01 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.05 2.53 69.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 64.91 56.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 m -134.98 -59.58 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -89.5 169.63 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.9 p -118.8 151.59 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.25 -44.54 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.15 -41.61 86.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.78 31.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.71 -34.4 71.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.46 -44.96 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -61.51 -34.43 75.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.92 -38.76 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.6 22.99 14.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -78.27 -33.26 49.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.3 mt -89.76 117.35 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.97 144.64 25.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.4 mt -109.16 152.03 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 124.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.22 -114.47 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.84 73.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.76 -36.07 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.78 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -59.17 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -27.23 29.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -29.24 17.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.6 -34.86 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.92 -31.37 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -38.77 90.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.2 p -67.5 -12.22 59.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.28 -55.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -54.78 -43.18 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -47.36 -45.72 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -32.71 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.9 -56.58 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -48.96 77.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.87 -33.25 35.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -79.86 -47.7 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.1 t -49.53 -42.95 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.75 -26.22 59.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.75 -171.03 28.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -108.81 148.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -127.14 149.27 50.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -118.61 102.86 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -96.49 141.36 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -120.62 128.37 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.1 mm -93.63 101.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.12 111.23 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 t -128.46 163.66 24.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.5 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -82.19 -12.48 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.34 -126.69 2.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.31 114.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.49 109.82 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.18 136.21 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -131.06 145.42 52.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -106.89 134.03 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.49 138.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.98 118.74 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.02 -56.48 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -41.78 -64.63 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.92 179.34 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -113.16 66.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 168.51 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -147.53 142.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.58 159.56 41.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.24 141.7 37.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.34 -156.01 15.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.8 120.03 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.33 146.7 23.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.65 -26.87 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 t -170.3 76.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 159.37 53.72 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.94 -37.11 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.27 152.0 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -123.75 106.01 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.1 p -104.91 149.11 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 m -122.28 129.07 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -149.71 150.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.03 167.83 52.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -51.08 60.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.83 -57.44 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -52.04 60.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -29.31 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.75 -42.36 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.97 91.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.01 -63.57 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -56.69 -26.13 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.73 5.18 70.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 tttt 64.11 56.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.23 -59.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.23 169.62 10.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.0 p -117.36 150.67 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.83 -42.66 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.45 95.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -54.52 33.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.14 70.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.9 -44.76 76.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -61.76 -35.94 79.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.28 -41.09 73.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.07 21.45 13.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -76.72 -33.4 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 mt -96.96 111.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -92.61 144.82 24.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.97 160.31 14.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 143.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.29 -111.35 4.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.6 76.49 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.28 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.23 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -53.04 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.13 -28.43 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.59 88.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -52.75 -39.64 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.8 mt -62.42 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -50.51 -30.82 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -41.8 97.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -14.24 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.14 -55.06 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 42' ' ' TRP . 36.6 mm -65.95 -38.86 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -35.83 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.43 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG21 ' A' ' 14' ' ' VAL . 97.4 mt -65.01 -51.59 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.93 71.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.94 -54.19 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 9.4 m -46.88 -45.99 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.75 -28.89 24.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.854 0.359 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.12 -136.55 3.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.13 149.74 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.83 156.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -125.34 106.65 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -107.25 139.08 42.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.59 130.74 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -90.04 98.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.52 99.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -117.47 161.65 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -25.7 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -81.62 -20.62 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.31 -130.99 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -146.47 114.55 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -87.66 111.11 20.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.18 139.91 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CE2' HG13 ' A' ' 7' ' ' ILE . 71.6 m95 -138.52 146.83 42.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -112.55 137.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.54 137.73 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.03 139.03 45.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -45.26 10.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -44.25 -64.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.48 -167.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.78 69.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 163.58 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.5 t -145.45 136.72 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.71 157.33 46.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -103.5 137.23 41.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.31 -157.48 15.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.75 117.35 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.14 147.52 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 -28.04 66.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.99 75.39 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.32 -38.59 60.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.7 t -146.11 151.71 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 m -122.36 100.49 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.99 140.7 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.73 133.43 54.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.95 149.09 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 142.0 33.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -55.9 -32.37 63.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.4 -50.52 63.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -54.24 -53.44 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -61.71 -25.14 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.74 -55.27 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.92 -31.75 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -76.55 -60.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 -24.65 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.64 8.09 70.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.93 56.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -59.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.4 169.71 10.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -128.28 154.5 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.48 -46.4 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.14 -38.38 66.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -55.65 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.92 68.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.95 -50.79 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -59.79 -40.87 89.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.52 -37.92 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.37 33.97 4.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -76.85 -30.36 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.6 156.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -121.41 149.04 43.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.35 147.69 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.43 123.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.26 -112.74 2.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.1 73.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.9 -36.96 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.99 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -53.87 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.86 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.61 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -62.83 -48.27 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.42 -53.95 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.34 -34.98 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -62.41 -39.49 93.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -67.49 -12.97 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.89 -55.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.412 HG13 ' CE2' ' A' ' 42' ' ' TRP . 32.3 mm -57.78 -33.06 44.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -47.91 -47.2 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -65.27 -32.04 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.08 -56.19 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -45.73 90.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.7 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -38.35 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG11 HD13 ' A' ' 49' ' ' LEU . 26.3 t -54.85 -36.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.86 65.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.91 -148.37 13.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.02 146.68 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -122.36 148.45 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -112.44 103.31 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.68 148.29 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.98 124.52 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -96.31 105.71 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -72.56 99.17 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -110.83 164.67 12.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -24.52 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -14.71 45.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.04 -127.31 2.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 t -146.57 114.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.91 111.39 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.73 145.0 27.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -141.76 147.59 37.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.1 134.08 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.7 135.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.98 123.11 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.89 -52.0 12.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -41.73 -66.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -91.81 -169.66 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD13 HG11 ' A' ' 14' ' ' VAL . 2.6 mm? -119.76 67.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 166.52 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 t -146.19 140.0 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.34 158.77 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -104.62 140.7 37.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.96 -158.96 14.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.5 117.67 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.73 146.72 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.89 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.14 76.2 0.73 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 158.38 57.13 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.58 -36.66 60.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 t -145.56 151.17 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -122.69 113.75 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.2 140.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -124.08 113.54 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.61 149.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.58 148.78 51.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.11 -48.62 70.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.94 -43.22 83.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.74 -31.12 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -24.88 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.22 -50.5 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -34.75 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.07 -59.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.74 -24.17 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.1 11.03 63.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 63.23 56.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.51 -58.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.39 169.95 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -129.4 159.77 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.95 -47.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.18 55.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -56.83 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.25 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.7 -39.02 84.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -33.46 74.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.29 -40.68 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.22 25.92 7.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.73 -33.31 58.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.94 114.61 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.24 149.24 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.44 155.54 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -173.12 157.57 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.89 -104.83 3.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.09 75.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.08 -36.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -47.21 68.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -56.31 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.03 60.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.51 -42.17 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -64.63 -44.84 89.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.49 92.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.957 0.408 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.47 -32.55 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -40.39 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.6 p -66.05 -13.74 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.13 -54.54 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.09 -28.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.18 -35.9 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -74.43 -34.76 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.75 -51.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -63.76 -48.75 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.63 60.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -40.64 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.59 -39.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.97 -16.71 68.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.2 -139.94 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.09 147.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -127.75 143.04 51.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -104.35 102.1 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.43 143.71 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.46 125.07 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.3 mm -89.12 149.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -118.2 99.37 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -127.53 166.04 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.32 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -18.83 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.88 -129.51 3.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 t -144.57 116.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.0 114.21 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 143.57 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -142.21 146.77 35.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -116.06 130.27 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -130.83 138.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -114.12 140.26 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.11 -43.53 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -44.46 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -104.11 -168.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -113.75 76.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 161.31 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.3 t -145.37 138.28 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.07 159.92 39.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -107.87 138.16 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.67 -154.65 16.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.2 t -110.79 121.58 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.58 146.85 34.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.98 -26.97 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.23 76.17 0.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.07 51.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 -38.08 27.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.2 151.37 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -115.79 105.27 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -100.68 144.68 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -123.15 132.3 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.03 151.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.07 41.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.07 -35.11 80.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -42.1 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.45 -53.75 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mtp -59.53 -38.5 81.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.54 -47.52 57.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.8 mt -77.53 -62.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 p -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 2.94 74.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.6 tttt 64.28 56.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -132.46 -60.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.2 169.89 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.8 p -125.31 156.27 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.25 -46.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.31 -43.51 64.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -54.92 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.43 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.66 -49.24 60.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -39.69 89.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -74.73 -39.77 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.71 35.64 3.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -33.32 57.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.3 mm -101.23 156.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.76 143.55 41.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.93 153.02 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -174.9 126.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.98 -14.38 26.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.96 102.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.68 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -56.14 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -56.38 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.36 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.15 67.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -60.92 -35.25 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.51 -33.62 54.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.3 -36.94 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.52 -36.87 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -68.6 -13.34 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.63 -55.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.406 HG13 ' CE2' ' A' ' 42' ' ' TRP . 36.8 mm -62.09 -40.14 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.14 -45.4 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.59 84.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' VAL . 98.2 mt -65.77 -53.12 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.8 -40.85 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.2 72.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -80.67 -53.85 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 10.4 m -48.53 -45.83 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.04 49.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.112 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 163.12 -137.73 4.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.74 148.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.07 150.8 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -111.4 102.88 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -89.12 148.43 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.07 122.92 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.19 115.07 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -72.28 130.75 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 p -135.51 171.46 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.5 -11.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.5 p -105.82 -19.59 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.46 -134.54 3.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 t -145.82 117.21 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -81.8 111.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -85.34 147.93 26.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CE2' HG13 ' A' ' 7' ' ' ILE . 82.4 m95 -145.08 145.01 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.45 131.7 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.63 140.06 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -113.75 140.03 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -90.49 -45.43 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -43.79 -64.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.97 -168.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.61 69.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 164.94 19.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.15 140.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.21 158.29 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -104.94 139.6 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.82 -158.54 14.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.03 147.64 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -26.46 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -170.07 76.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.51 56.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.92 -41.44 62.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.75 138.85 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.8 m -101.64 107.66 18.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 p -103.84 143.53 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.3 m -123.2 131.52 53.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.3 150.99 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.46 168.71 53.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -58.52 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -53.15 -52.21 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.87 -53.6 46.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 tpp -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.26 -50.35 73.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.72 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.7 mt -77.69 -63.59 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -31.01 62.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.71 1.17 63.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt 65.34 56.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -132.18 -60.05 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -89.48 169.61 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -121.79 155.19 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.72 -48.36 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.93 -40.23 49.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -56.93 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.7 72.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -42.61 82.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -65.14 -36.9 85.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.1 -40.29 60.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.38 3.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -91.03 -33.26 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.7 mt -99.24 113.25 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 149.49 21.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.33 170.77 7.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.9 t -172.88 149.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.02 -118.86 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.68 67.69 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.72 -36.64 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.46 62.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -49.07 79.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.92 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.46 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -40.84 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 mt -77.5 -55.94 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.822 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.12 -32.48 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.89 -39.65 94.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 p -66.9 -12.93 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.66 -55.63 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -54.78 -38.74 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.44 -47.32 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -32.08 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.51 -55.94 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -46.29 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.82 61.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -79.79 -42.35 24.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.5 t -52.14 -38.84 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.99 -19.01 78.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.888 0.375 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 160.62 -136.61 4.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.72 148.88 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.5 141.27 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -107.45 100.29 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.75 147.5 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -131.28 126.85 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.58 105.77 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.05 100.93 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -123.1 161.96 23.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.79 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m -74.07 -19.81 60.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.49 -126.45 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -148.92 114.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.42 111.14 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.02 134.84 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -131.39 148.67 52.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -109.95 131.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -133.27 137.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -111.88 142.93 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -95.62 -44.49 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -43.58 -64.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -104.91 -169.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -112.88 71.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 164.76 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -147.5 141.55 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.22 159.24 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -106.6 141.82 37.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.98 -154.83 16.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.93 121.94 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.04 146.93 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.77 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -171.44 76.56 0.52 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.23 61.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.29 -42.89 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -147.42 152.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -112.71 112.98 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.15 147.7 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -123.27 135.49 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.92 149.89 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.82 146.8 37.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.68 -32.23 70.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.08 -55.1 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -53.03 -54.2 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.3 mmt -50.64 -34.53 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.96 -40.76 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.73 80.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 mt -74.93 -63.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -56.17 -26.71 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.66 5.97 67.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 64.32 56.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.0 -59.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.61 169.8 10.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p -121.88 155.55 35.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.6 t -51.23 -45.5 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.02 -43.24 83.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -54.35 41.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.37 -33.93 70.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.4 -49.48 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.62 -40.95 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.65 -37.64 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.03 28.97 7.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -76.93 -32.74 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mt -106.01 113.56 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -92.57 146.13 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mt -119.31 141.08 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -160.6 140.66 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.17 143.17 3.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 42.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.18 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -56.59 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -49.75 76.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.57 -28.66 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.5 74.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.99 -44.25 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt -54.88 -44.71 74.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.89 -35.34 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -38.54 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 m -66.89 -13.25 61.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.4 -55.11 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.404 HG13 ' CE2' ' A' ' 42' ' ' TRP . 32.8 mm -66.67 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -42.45 22.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.72 -37.64 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.8 mt -64.23 -52.94 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.71 -41.47 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.03 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.26 -54.79 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 12.0 m -46.75 -45.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.4 -28.54 14.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.73 -159.45 30.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.13 150.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.91 153.01 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -117.98 105.19 11.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.87 147.82 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.34 130.94 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.1 mm -92.45 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.5 107.66 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -133.83 166.85 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.51 -23.87 65.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -19.3 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.23 -126.61 2.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -147.62 115.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 112.02 17.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -89.87 137.94 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 80.0 m95 -136.72 138.8 41.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -104.76 130.52 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.72 139.05 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.39 125.92 53.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.77 -49.69 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -40.76 -64.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -101.96 -178.26 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.75 64.73 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 162.39 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -145.59 136.95 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.01 157.84 44.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -104.13 137.52 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.21 -156.34 15.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.97 118.38 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.68 147.47 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -27.17 66.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.33 74.9 0.85 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.717 0.77 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.69 158.7 56.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.396 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.42 -37.24 52.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.7 t -143.39 151.11 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -123.48 103.66 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -101.86 144.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.79 125.48 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.81 169.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.36 172.99 33.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -47.58 76.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -57.48 12.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.41 -53.6 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.9 tpt -57.34 -26.08 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.03 -42.41 63.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.1 84.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.38 -62.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -33.17 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.44 -1.33 70.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 56.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.66 -61.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.47 170.02 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.9 p -118.32 154.75 31.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.0 t -49.84 -47.37 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.0 -43.53 61.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.13 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.22 -34.18 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.31 -44.51 79.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -61.86 -34.61 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.15 -42.05 66.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.41 20.58 13.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -78.16 -33.47 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 mt -86.91 145.46 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -120.55 147.5 45.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.72 145.68 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.58 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.76 -104.77 0.64 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.75 78.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.51 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -58.94 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.65 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.96 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -51.67 -29.18 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -76.39 -52.31 10.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.58 -37.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -66.45 -13.69 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.67 -38.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -46.87 -45.07 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -65.17 -32.86 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.5 mt -69.28 -45.22 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 3.2 mtmt -71.32 -41.85 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -80.94 -55.1 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 9.5 m -46.96 -45.95 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.61 -28.55 30.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -176.69 -147.36 6.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.79 151.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -138.43 151.07 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -110.33 103.32 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -90.14 147.92 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.7 126.81 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.8 mm -94.99 109.34 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -71.86 118.0 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -135.66 158.22 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.99 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.22 -13.99 48.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.09 -128.5 2.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.26 116.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 111.25 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.88 144.11 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -142.5 147.12 35.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.18 128.83 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.72 141.47 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.67 140.98 49.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -92.77 -40.51 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -43.7 -64.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.82 -167.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.07 70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 160.68 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -145.49 135.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.46 155.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -103.2 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.11 -158.46 14.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 117.83 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.4 147.29 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -25.58 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 t -170.64 75.49 0.58 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.699 0.762 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.52 62.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -44.66 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -147.23 152.06 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -110.09 114.42 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.06 148.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -122.8 134.18 54.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -150.34 150.12 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.15 167.13 53.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -62.04 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.47 -57.95 8.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmm -62.91 -34.73 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.6 -37.52 65.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.31 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.02 -63.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -30.86 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.09 -1.1 67.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt 64.78 56.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.9 m -131.65 -60.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.74 169.51 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 p -118.27 151.94 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -50.84 -36.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.16 94.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -50.55 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.75 73.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.52 -51.27 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -59.83 -43.54 94.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -71.03 -35.3 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 31.56 7.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.41 -33.35 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -107.83 110.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.67 148.35 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 165.88 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.34 110.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.92 148.55 24.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.58 82.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.95 71.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.34 -54.68 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -56.64 16.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.08 -28.83 26.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.61 -30.54 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -53.06 -51.42 61.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.08 -22.52 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.783 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -53.62 -39.3 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -70.79 -13.84 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.5 -55.23 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' A' ' 42' ' ' TRP . 34.9 mm -63.38 -32.77 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -47.12 -41.52 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -71.03 -36.04 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.5 mt -65.43 -52.08 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.508 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.2 -41.21 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.37 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.05 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.44 -51.4 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 12.8 m -51.4 -43.31 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.38 -8.04 42.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.22 -153.12 22.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.91 149.35 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.91 159.11 33.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -125.11 105.54 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 mt -94.92 147.84 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.21 125.71 20.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.02 98.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -72.18 99.8 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.3 p -108.77 -178.59 3.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.3 -22.6 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -22.34 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.65 -132.43 2.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.56 114.8 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 110.84 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.15 142.62 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -138.98 146.03 40.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.15 134.14 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.46 137.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -111.42 125.35 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.91 -51.29 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.12 -66.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -95.75 -167.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.97 64.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.48 164.74 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -146.25 129.46 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.81 157.75 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -103.2 135.36 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.87 -159.54 16.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.33 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.78 147.15 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.4 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.46 76.03 0.83 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.678 0.751 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.42 53.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -77.05 -35.1 57.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.02 151.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -126.99 100.8 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 p -100.59 142.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -123.58 127.58 48.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.25 165.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.65 138.91 14.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.61 -31.73 11.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -71.24 -41.23 70.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.66 -55.47 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.92 -33.87 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.09 -40.7 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.36 66.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.24 -61.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.51 3.43 73.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 63.82 56.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.8 m -138.34 -58.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -88.62 169.87 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -129.12 153.91 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -50.78 -47.29 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.83 61.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -56.86 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.88 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.6 -50.43 44.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.33 -40.42 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.57 -39.21 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.97 27.5 8.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -76.8 -31.37 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 mt -86.47 126.85 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -92.79 147.89 22.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.03 143.89 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -173.25 137.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.01 -104.93 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.22 78.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -37.28 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -47.18 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -52.79 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.14 -28.98 28.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.35 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -42.68 66.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.54 -38.71 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.912 0.387 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -71.3 -29.14 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.75 -44.66 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 t -62.93 -14.08 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mm -83.37 -52.95 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.91 -34.11 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -46.16 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -68.75 -32.28 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.14 -55.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.97 -49.2 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.44 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -80.88 -44.07 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.5 t -47.96 -42.43 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.9 -28.22 39.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.369 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.89 -141.41 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.85 145.67 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -124.74 158.94 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -118.88 100.23 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.75 147.36 26.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.69 128.78 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -94.43 161.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -117.64 106.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -131.62 169.44 16.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.81 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -17.71 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.98 -125.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -146.98 114.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -77.97 111.77 14.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.13 134.8 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -132.34 148.07 52.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 mt -112.81 129.78 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.84 139.63 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -113.45 142.91 45.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.18 -43.17 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -44.44 -64.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -105.07 -167.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -113.0 76.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.58 34.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.407 ' HB ' ' HE2' ' A' ' 11' ' ' LYS . 24.8 t -147.84 142.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.72 160.81 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -106.53 140.68 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.42 -155.74 16.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.8 t -111.14 120.66 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.04 143.9 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.15 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -172.15 78.99 0.47 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.9 48.01 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.53 -36.58 20.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.8 t -147.87 139.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 m -107.67 126.44 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.2 144.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.96 131.99 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -149.99 150.58 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.0 169.87 38.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -54.26 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.24 -51.76 31.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.01 -54.03 41.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.52 -24.5 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -51.44 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.37 -29.39 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -79.65 -63.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -56.33 -29.47 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.13 -0.86 66.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 64.75 56.83 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.5 m -133.67 -59.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.19 169.66 11.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -118.29 149.7 40.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.6 -42.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.85 95.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -53.11 59.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.94 69.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tp -68.64 -45.7 71.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -62.05 -37.85 86.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.22 -41.89 73.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.77 26.97 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.77 -33.39 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -99.8 115.37 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -92.03 148.62 22.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -111.87 171.37 7.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -172.53 133.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.03 -117.71 5.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 67.48 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.326 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.44 -37.14 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.52 -48.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -59.65 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -28.98 66.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.83 79.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -63.27 -32.04 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -46.56 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.813 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.57 -37.99 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.74 -38.86 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 m -67.47 -13.4 62.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mm -84.72 -55.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.423 HG13 ' CE2' ' A' ' 42' ' ' TRP . 33.6 mm -64.81 -35.99 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.47 -46.12 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.44 -32.88 73.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.43 -56.02 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -44.66 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -41.89 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -31.36 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 HD13 ' A' ' 49' ' ' LEU . 43.2 t -64.68 -37.09 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.01 -7.31 81.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.69 -142.33 3.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -146.29 149.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.26 144.57 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -108.86 101.84 10.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -98.1 142.36 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.04 125.32 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.1 mm -84.13 152.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -118.26 99.13 6.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.2 p -109.63 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -20.52 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.36 -129.29 2.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -144.7 118.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -91.92 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -85.48 142.57 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.9 m95 -139.83 147.42 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -112.97 129.0 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.48 139.59 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.99 141.23 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 -40.4 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -63.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -110.19 -175.67 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.408 HD13 HG13 ' A' ' 14' ' ' VAL . 2.1 mm? -102.91 76.43 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.92 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.7 t -145.7 141.74 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -106.87 144.0 34.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.24 -157.03 15.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -112.52 118.46 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.403 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.7 148.52 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.8 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -167.8 74.45 0.93 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.6 Cg_endo -69.75 158.34 57.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.35 -42.7 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 t -147.99 152.25 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 m -111.58 111.67 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -108.51 146.21 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -123.9 140.5 52.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.61 169.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.12 149.78 20.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.13 -42.27 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.32 -40.44 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.41 -58.42 6.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -24.41 39.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -48.2 65.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.61 95.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -74.83 -63.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -56.29 -25.84 49.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.65 4.41 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 64.24 56.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.72 -58.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -89.49 169.92 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.8 p -127.12 156.51 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.9 t -51.14 -47.15 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.88 -44.09 61.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -55.15 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -33.49 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.14 -49.06 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.91 -39.88 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.97 30.7 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.82 -33.48 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.303 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mt -96.53 119.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -95.92 147.56 23.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.16 159.46 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.23 111.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.3 146.03 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.29 86.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.26 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -56.41 5.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -53.51 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 -30.3 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.84 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.4 -51.26 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 tp -56.75 -28.93 62.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.765 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -49.39 -29.57 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -65.88 -11.88 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.1 mm -83.34 -55.17 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.99 -42.63 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -47.46 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -33.05 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 14' ' ' VAL . 95.7 mt -70.56 -43.71 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 3.6 mtmt -71.75 -42.11 67.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.59 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -80.83 -55.27 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 8.5 m -46.65 -46.31 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.73 -29.23 25.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.81 0.338 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.54 -135.03 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.1 150.46 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.13 153.99 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -120.08 101.89 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.32 145.01 27.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -126.43 128.96 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.46 107.15 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -74.41 99.14 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -101.15 169.67 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.44 -4.42 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -112.0 -18.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.86 -134.19 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -146.19 114.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.18 111.77 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.69 142.03 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -138.82 144.86 39.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.4 mt -107.65 137.76 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.84 138.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.98 138.34 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -45.39 10.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -44.31 -64.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.65 -168.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.88 69.73 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 166.08 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -144.84 137.72 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.1 157.48 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -104.31 139.99 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.15 -159.21 14.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.05 116.46 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.41 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.8 t80 -51.47 147.63 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -28.98 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.63 75.89 0.95 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.9 Cg_endo -69.75 157.21 61.2 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.06 -42.61 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.2 t -148.25 144.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.3 m -110.3 113.59 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.23 143.99 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.44 134.29 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.97 149.13 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 151.32 42.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.16 -43.67 86.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.03 -45.65 66.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.06 -56.08 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 tpp -55.14 -37.7 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -54.35 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.41 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -75.85 -62.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -22.06 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.74 9.38 65.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.83 56.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -57.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mt -87.46 169.41 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.83 157.06 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -55.06 -30.36 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.9 -46.54 81.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.33 -46.43 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.68 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -50.49 36.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -44.05 92.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.75 -39.0 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 31.36 5.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.87 -33.28 57.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 mt -99.12 119.18 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -92.3 149.27 21.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.44 163.58 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.8 t -173.09 159.78 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.2 -115.12 5.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 69.61 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.806 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -36.56 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -47.54 65.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -53.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -29.83 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.71 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -28.55 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.2 -55.65 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.759 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.33 -32.75 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.19 -40.28 97.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -66.17 -13.39 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -84.7 -54.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.6 mm -68.96 -31.44 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -45.21 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -63.23 -34.99 78.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.98 -50.31 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -63.35 -42.86 98.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.16 75.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -78.26 -56.55 4.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.531 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 5.5 m -52.92 -45.62 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.19 -12.08 79.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.832 0.349 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.57 -148.57 19.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 t -143.41 149.04 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.74 157.17 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -125.18 105.44 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -94.01 148.35 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -139.96 126.24 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mm -95.5 100.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.58 100.08 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.0 p -109.99 -179.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.1 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -21.62 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.26 -133.89 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.5 114.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -84.7 110.62 18.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.73 141.71 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -138.03 146.79 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.66 134.99 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -137.46 134.67 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -105.4 128.4 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.9 -56.38 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -41.89 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -89.76 174.47 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -107.37 67.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.39 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -145.3 134.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.53 157.12 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.94 135.79 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 -159.46 15.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.42 117.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.4 t80 -53.0 147.94 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.86 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.51 74.57 1.15 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.76 159.7 52.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -75.46 -35.75 60.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 t -145.59 151.38 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -126.48 105.67 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -106.24 139.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -124.82 114.29 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.38 160.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.46 148.14 35.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.35 -33.87 76.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.13 -55.0 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.56 -53.59 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.2 tpp -59.3 -30.95 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.9 -55.82 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.18 -29.4 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.89 -59.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -24.47 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.81 5.64 74.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.04 56.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -139.44 -58.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -89.91 169.82 10.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -127.91 160.32 32.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -54.29 -47.34 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.68 -42.69 59.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -55.46 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.33 70.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -67.72 -40.79 84.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -64.97 -32.45 74.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.92 -43.02 72.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.42 20.1 12.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -76.81 -33.7 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.3 113.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -92.13 145.63 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.44 148.8 32.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.09 119.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.31 -104.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.94 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.95 -37.15 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -46.82 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -53.08 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.76 -29.69 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.27 88.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.88 70.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.48 -44.99 56.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.803 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.7 t -49.45 -29.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -42.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -66.12 -11.66 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mm -83.52 -55.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.406 HG13 ' CE2' ' A' ' 42' ' ' TRP . 27.6 mm -56.15 -43.0 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -47.35 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -33.25 75.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.7 mt -69.19 -53.55 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 7' ' ' ILE . 3.8 mtmt -62.21 -49.5 75.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.23 -33.95 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -78.9 -46.49 18.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' ' 49' ' ' LEU . 39.9 t -49.56 -45.02 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.16 -21.48 61.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.13 -138.54 3.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -144.96 151.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -134.54 144.8 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -112.42 101.88 10.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.69 147.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.87 130.24 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 mm -92.93 102.86 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 103.09 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -122.66 166.97 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.02 73.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -72.91 -17.84 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.95 -126.15 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.93 114.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.33 111.05 21.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.41 134.78 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CE2' HG13 ' A' ' 7' ' ' ILE . 78.5 m95 -131.86 146.9 52.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.2 mt -109.84 131.55 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.13 139.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.68 140.4 49.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.08 -44.17 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -63.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -107.12 -175.97 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HA ' HG11 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -106.6 74.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 162.13 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.6 t -145.23 139.9 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.73 38.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -108.94 141.47 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.94 -153.71 17.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.03 121.46 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 4.9 t80 -57.34 149.11 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.23 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -169.19 74.67 0.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.674 0.75 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.1 Cg_endo -69.78 155.32 66.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -43.71 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.73 149.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -112.04 99.21 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.82 147.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.1 136.32 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.7 149.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.43 149.95 47.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.35 -34.0 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.35 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.45 -49.94 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -41.6 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.93 -40.55 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.35 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.2 mt -74.67 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 t -55.76 -24.51 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 9.95 65.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 63.31 56.57 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.56 -59.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mt -94.62 169.95 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.8 p -124.01 149.39 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.14 -43.3 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.07 92.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -53.93 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.75 -34.07 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -67.62 -46.51 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -61.5 -38.77 88.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -72.47 -40.17 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.83 9.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -76.81 -32.48 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.08 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -109.07 149.81 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.75 172.08 7.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.3 -164.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.98 -171.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 43.4 68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.65 -38.01 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -52.5 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -58.23 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.25 -41.1 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -28.11 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.3 -38.06 43.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.796 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.61 -37.39 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.79 95.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -65.83 -14.48 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -84.38 -54.17 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm -72.86 -31.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.19 -43.98 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -65.06 -33.98 77.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.8 -49.24 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 1.5 mtmt -63.4 -42.44 98.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.27 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -79.72 -55.19 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 6.7 m -52.07 -44.99 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.73 -13.09 68.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.62 -153.43 25.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -144.63 144.52 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -121.28 162.49 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -124.86 100.84 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.73 147.85 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.91 124.96 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 mm -87.85 149.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 98.99 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -130.49 164.54 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -29.78 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -72.93 -16.95 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.55 -127.83 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -149.99 116.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.5 112.29 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.45 139.2 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -137.19 143.03 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.0 135.99 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -137.23 138.66 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.88 131.13 55.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.96 -57.23 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.91 -66.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -92.73 174.14 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 3.3 mm? -107.91 69.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.73 164.9 21.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -145.54 131.38 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.76 156.32 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.52 132.9 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.35 -154.71 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -115.7 121.07 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.34 146.01 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.78 67.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -167.86 75.04 0.92 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.65 52.66 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.11 -28.85 23.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.08 152.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -129.19 109.35 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 p -113.01 144.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -123.48 137.2 54.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.56 150.38 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.35 153.4 52.91 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.42 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.58 -43.42 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.6 -57.4 10.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.9 mmt -58.43 -29.39 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -52.54 64.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.03 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.5 mt -76.11 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.34 -27.6 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.0 3.74 78.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.45 56.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -131.77 -60.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.32 169.57 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.5 p -122.55 153.88 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -51.78 -41.8 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.29 95.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -54.12 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -34.02 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.02 -49.23 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.19 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.69 -41.01 79.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.54 28.36 7.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.9 -33.53 57.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 mt -92.24 123.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.9 149.16 21.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.87 150.04 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -173.23 138.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.8 -105.14 2.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.07 77.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.97 -38.45 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -56.85 -49.3 75.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -58.76 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.0 63.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.77 40.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -29.31 24.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.35 -55.28 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.81 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.97 -32.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.32 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -67.18 -12.75 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -85.02 -55.48 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.4 -33.91 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.59 -46.86 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -35.02 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -67.54 -54.07 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -62.34 -46.8 87.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.48 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.26 -29.69 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.38 -38.39 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.61 -9.06 82.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.106 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.29 129.6 2.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.55 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 t -62.25 148.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.5 149.42 51.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -111.4 101.29 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.81 145.74 27.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.1 127.09 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.68 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -117.61 108.23 15.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 t -133.2 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.03 64.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -18.26 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.08 -125.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -147.94 114.59 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -77.12 111.81 13.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.08 137.8 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -135.04 151.28 50.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.47 131.38 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.51 137.79 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.97 108.23 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.58 -55.65 19.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.18 -64.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -88.71 -169.81 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.75 75.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 166.5 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.1 t -146.21 139.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.16 159.76 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.41 140.71 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.17 -155.91 15.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -112.99 121.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.57 143.88 49.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.64 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 t -170.13 78.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 161.65 45.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -83.66 -33.69 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -146.87 151.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 m -121.09 100.48 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.9 p -97.66 142.82 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 125.98 46.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.98 169.19 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.38 172.47 23.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -56.09 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.68 -47.56 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -52.8 -56.07 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mtt -66.02 -24.11 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.44 -43.33 99.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.53 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.34 -63.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -28.75 58.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.07 -0.83 66.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.03 56.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.1 m -135.83 -58.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mt -88.48 169.92 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.26 157.88 32.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.35 -27.96 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.81 -43.55 58.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -49.46 77.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.47 72.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.36 -49.97 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -60.41 -40.93 92.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -74.41 -35.61 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.26 6.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.65 -32.26 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.3 mm -88.37 154.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.4 148.91 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.6 142.02 47.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.8 110.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.78 -104.83 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.58 79.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.7 -37.56 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -48.45 62.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -49.3 55.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -28.8 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.95 74.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -55.68 -43.8 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -41.14 97.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.4 112.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.33 -36.7 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -61.23 -41.37 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -65.86 -13.65 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.61 -54.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.87 -37.62 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.52 -46.16 27.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -63.26 -32.74 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG21 ' A' ' 14' ' ' VAL . 89.4 mt -68.86 -46.82 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.3 OUTLIER -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.8 -30.15 69.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -81.54 -50.47 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 13.3 m -51.84 -43.42 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.37 -7.19 51.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.78 -20.29 7.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' ARG . 2.8 p -75.38 163.52 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.44 159.41 29.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.28 6.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -73.06 -14.07 61.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.57 -67.36 1.81 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.63 3.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.384 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -68.63 164.28 21.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 88.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -151.29 173.15 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -173.45 121.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.89 -139.54 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -147.21 144.79 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -124.87 153.51 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -113.14 104.09 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt -90.91 147.55 23.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -141.98 125.85 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mm -95.51 109.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 116.82 10.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.1 157.17 46.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.28 67.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.0 m -86.62 -14.16 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.85 -128.17 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -152.6 116.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.01 111.15 19.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.66 147.0 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -145.43 147.48 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.67 132.0 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.08 137.19 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.04 138.29 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.77 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -44.04 -64.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -101.91 -166.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -118.22 73.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 166.55 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.7 t -145.04 135.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.83 155.82 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.8 140.53 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.93 -160.23 13.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.63 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.18 145.7 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.01 -27.84 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -170.24 77.47 0.62 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.59 59.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.52 -37.86 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.1 151.41 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.2 m -119.64 113.3 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.96 139.11 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 m -124.73 113.98 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 t -128.28 161.32 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.42 164.67 47.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.98 -53.33 40.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.84 -50.59 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.63 -56.33 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.18 -26.53 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -48.93 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.22 -39.45 92.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.64 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.6 t -55.71 -29.11 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.39 -0.6 72.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.98 56.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.7 m -134.43 -59.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.22 169.56 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.7 p -117.41 151.58 36.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -50.47 -41.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.62 -41.55 98.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.62 -53.38 55.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.98 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 tp -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -62.57 -35.81 80.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -69.85 -41.52 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 21.94 11.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -76.75 -33.07 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.4 mt -90.69 110.58 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -94.8 142.31 27.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 158.23 18.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -173.91 123.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 -110.97 2.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.99 73.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.65 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.53 -47.72 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -48.74 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.98 -28.26 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -30.57 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.32 -55.43 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.19 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.82 -28.64 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.88 -21.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.2 tp -57.44 -24.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.25 160.2 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -117.51 77.89 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -95.11 172.5 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -51.76 15.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.74 140.25 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.33 125.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.0 t -56.02 -28.51 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -64.39 -13.68 52.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.68 -54.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 HG13 ' CE2' ' A' ' 42' ' ' TRP . 33.3 mm -68.67 -36.96 76.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.97 -43.68 29.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -70.49 -32.7 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.8 mt -68.82 -55.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -45.49 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.39 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -80.31 -40.97 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.55 -37.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.21 -24.19 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.98 -30.62 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.8 t -48.91 145.58 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 157.96 56.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.723 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -35.94 11.77 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.382 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -68.55 -24.26 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.35 -165.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.98 37.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.291 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -141.44 146.64 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -66.79 86.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 m -152.94 173.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.52 123.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.43 -135.83 2.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.73 148.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -127.93 150.52 49.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -113.0 103.74 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -91.93 148.29 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.9 125.45 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.3 mm -95.6 106.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -72.73 110.34 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 t -126.56 170.79 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.12 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -14.32 56.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.41 -125.39 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.53 115.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.08 110.81 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.35 144.54 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -141.55 146.36 36.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.75 129.93 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.28 138.15 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -112.12 139.45 47.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -42.87 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.78 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -103.5 -167.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.99 71.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 160.79 36.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.3 t -145.87 141.21 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.71 160.0 40.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -105.03 142.01 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.14 -158.06 14.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.83 118.23 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -54.19 146.93 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.9 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -169.57 76.07 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.45 53.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.56 -36.25 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.8 t -145.82 151.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 m -126.03 109.13 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -112.41 144.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -122.98 133.5 54.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.9 p -149.74 150.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.15 165.82 54.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -52.55 45.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.52 -55.66 10.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -52.29 -53.62 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -39.52 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -50.43 -50.98 50.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.82 -33.05 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.2 mt -75.29 -62.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 p -55.87 -30.48 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.29 0.41 74.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 64.1 56.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.14 -60.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mt -92.09 169.86 10.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.2 p -120.06 153.71 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 m -51.16 -41.6 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.08 -41.86 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.77 -54.33 40.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.98 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.54 -43.98 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -62.04 -34.09 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.11 -41.11 74.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.61 19.13 21.22 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.68 -33.16 58.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mt -93.15 122.88 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -92.23 148.76 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.71 149.35 31.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 t -173.32 136.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -109.39 3.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.48 76.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.338 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.09 -36.44 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.17 -47.93 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -54.0 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.92 -28.86 58.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.95 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -52.81 -42.73 65.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.89 -45.09 52.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.08 -28.26 24.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.21 -20.98 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 8.1 tp -51.08 -32.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -126.38 69.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -68.48 110.01 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -112.39 161.57 16.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.42 103.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -91.66 118.87 31.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.53 112.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.3 t -50.45 -37.26 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.26 -44.64 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.09 -15.77 57.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.42 -55.13 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.443 HG13 ' CE2' ' A' ' 42' ' ' TRP . 37.4 mm -66.92 -41.38 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -39.9 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -32.72 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.9 mt -70.19 -55.61 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.01 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -80.79 -31.54 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 HD12 ' A' ' 49' ' ' LEU . 42.8 t -62.91 -38.22 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.41 -6.07 79.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.76 -20.11 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' ARG . 4.7 p -76.45 152.35 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.8 158.96 30.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.07 5.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -79.98 -13.41 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.23 -67.04 1.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -168.88 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.338 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 165.38 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 87.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.0 m -151.78 166.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.21 113.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.95 -139.27 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -145.97 148.3 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.83 152.55 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -120.21 104.02 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.48 141.4 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.4 129.41 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.1 mm -86.77 155.85 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -117.35 106.93 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -129.72 168.04 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -22.67 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -16.59 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.75 -124.17 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -146.23 117.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -86.98 112.11 21.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -87.54 141.55 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -138.9 149.73 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -114.59 132.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -132.91 139.39 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.8 142.71 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.35 -42.06 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 mtmt -44.42 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -105.55 -166.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD12 HG13 ' A' ' 14' ' ' VAL . 2.4 mm? -113.81 75.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 164.02 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.6 t -147.59 141.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.33 159.87 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -106.18 143.09 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.79 -157.78 14.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.0 p -114.0 116.54 52.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.83 148.28 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.84 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.77 74.37 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.44 49.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.35 -39.7 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 t -146.05 151.35 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -117.05 100.97 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.7 p -99.25 145.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -123.08 129.0 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.88 150.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.52 172.08 51.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -56.76 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.5 -53.21 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.92 -53.54 47.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.0 ttt -64.3 -24.44 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.04 -48.04 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -30.69 71.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.8 mt -79.72 -63.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 p -56.77 -31.76 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.9 -0.96 66.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.12 56.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.41 -60.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 mt -88.76 169.29 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.3 p -114.29 149.73 35.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.4 t -49.17 -43.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.95 95.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -54.29 37.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.18 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.58 -45.15 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -61.91 -37.49 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.39 -41.92 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.44 33.51 5.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -88.4 -33.09 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 mt -100.66 112.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.22 148.73 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 163.2 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -173.7 143.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.38 -108.0 3.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 73.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.69 -36.69 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -46.9 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -55.54 16.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -28.58 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -28.99 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.56 -35.35 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.03 -31.88 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.63 -28.85 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.25 -20.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.5 tt -51.4 -30.71 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -127.93 30.3 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -148.79 26.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -53.93 132.88 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.08 26.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 91.28 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.792 0.329 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.22 110.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -36.91 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -42.0 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -64.62 -14.89 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mm -82.68 -54.31 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.416 HG13 ' CE2' ' A' ' 42' ' ' TRP . 36.5 mm -68.14 -39.45 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.89 -45.34 30.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.7 mtt85 -70.68 -31.55 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.54 -55.84 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -45.42 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.05 -42.25 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -80.55 -34.14 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.69 -34.33 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.92 -5.23 90.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.14 -26.61 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -49.32 148.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 158.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.5 5.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.93 -21.36 64.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.91 164.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -22.15 32.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -142.53 142.0 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 86.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -152.46 170.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.23 122.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.41 -141.94 4.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -145.63 147.45 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.52 154.55 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -122.2 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 pp -102.35 142.98 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -125.85 130.7 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mm -94.95 105.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.92 104.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.0 p -109.78 154.56 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.21 -17.22 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -98.94 -17.1 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.34 -134.47 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -148.08 116.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -88.48 111.01 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -86.04 142.48 28.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.5 m95 -138.22 147.7 44.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -113.12 131.8 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.94 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.34 140.62 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.9 -42.25 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -44.16 -64.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -105.62 -168.39 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -112.18 69.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 161.64 29.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.1 t -145.93 140.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.11 159.08 42.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -105.42 142.33 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.85 -157.52 14.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -114.21 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.3 t80 -52.36 148.78 6.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.33 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -166.39 73.85 1.18 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.7 Cg_endo -69.77 159.86 51.82 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -74.9 -39.49 61.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.5 t -146.44 151.68 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -123.27 110.51 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.92 143.07 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -123.02 130.79 53.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 m -143.12 165.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.3 161.48 28.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -61.02 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.32 -43.26 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.98 -53.89 53.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -23.96 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -45.85 75.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.83 95.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.65 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.54 -28.01 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.05 2.53 69.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 64.91 56.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 m -134.98 -59.58 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -89.5 169.63 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.9 p -118.8 151.59 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.25 -44.54 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.15 -41.61 86.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -54.78 31.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.71 -34.4 71.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.46 -44.96 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -61.51 -34.43 75.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.92 -38.76 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.6 22.99 14.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -78.27 -33.26 49.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.3 mt -89.76 117.35 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.97 144.64 25.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.4 mt -109.16 152.03 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 124.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.22 -114.47 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.84 73.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.76 -36.07 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.78 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -59.17 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -27.23 29.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -29.24 17.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.6 -34.86 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.82 -30.7 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.07 -35.69 59.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.66 -36.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.5 tp -77.85 -16.58 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -91.32 -37.72 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 -171.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -52.49 113.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -138.67 159.41 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -158.09 -51.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.816 0.341 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.55 112.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.92 -31.37 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -38.77 90.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.2 p -67.5 -12.22 59.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.28 -55.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -54.78 -43.18 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -47.36 -45.72 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -32.71 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.9 -56.58 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -48.96 77.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.87 -33.25 35.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -79.86 -47.7 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' HA ' HG21 ' A' ' 17' ' ' VAL . 26.1 t -49.53 -42.95 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.75 -26.22 59.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.98 -31.74 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' A' ' 14' ' ' VAL . 61.5 t -53.26 144.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.72 144.98 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.847 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.79 -12.99 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.54 160.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 74.23 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -148.85 93.26 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.9 85.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.4 m -153.45 164.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.35 112.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.75 -171.03 28.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -108.81 148.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -127.14 149.27 50.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -118.61 102.86 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -96.49 141.36 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -120.62 128.37 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.1 mm -93.63 101.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.12 111.23 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.6 t -128.46 163.66 24.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.5 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -82.19 -12.48 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.34 -126.69 2.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.31 114.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -87.49 109.82 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.18 136.21 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -131.06 145.42 52.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -106.89 134.03 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.49 138.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.98 118.74 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.02 -56.48 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -41.78 -64.63 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.92 179.34 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -113.16 66.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 168.51 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -147.53 142.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.58 159.56 41.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.24 141.7 37.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.34 -156.01 15.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.8 120.03 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.33 146.7 23.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.65 -26.87 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 t -170.3 76.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 159.37 53.72 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.94 -37.11 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.1 t -146.27 152.0 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -123.75 106.01 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.1 p -104.91 149.11 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 m -122.28 129.07 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -149.71 150.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.03 167.83 52.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -51.08 60.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.83 -57.44 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.46 -52.04 60.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -29.31 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.75 -42.36 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.97 91.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.01 -63.57 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 p -56.69 -26.13 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.73 5.18 70.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 tttt 64.11 56.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.23 -59.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.23 169.62 10.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.0 p -117.36 150.67 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.83 -42.66 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.45 95.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.88 -54.52 33.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.14 70.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.9 -44.76 76.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -61.76 -35.94 79.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.28 -41.09 73.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.07 21.45 13.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -76.72 -33.4 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 mt -96.96 111.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -92.61 144.82 24.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.97 160.31 14.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 143.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.29 -111.35 4.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.6 76.49 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.28 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.23 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -53.04 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.13 -28.43 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.59 88.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -52.75 -39.64 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.8 mt -62.42 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.21 62.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -52.32 -35.95 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.3 m -52.79 -28.41 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.8 mm -88.85 -49.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -52.32 169.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 m170 61.05 41.03 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -175.29 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.88 162.14 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -163.77 155.39 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 177.92 126.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -50.51 -30.82 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -41.8 97.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -14.24 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.14 -55.06 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.409 HG13 ' CE2' ' A' ' 42' ' ' TRP . 36.6 mm -65.95 -38.86 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -35.83 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.43 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' O ' HG21 ' A' ' 14' ' ' VAL . 97.4 mt -65.01 -51.59 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.5 OUTLIER -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.93 71.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.94 -54.19 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 9.4 m -46.88 -45.99 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.75 -28.89 24.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.42 -31.95 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.0 t -53.85 149.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.05 158.0 77.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.569 0.699 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -68.2 -22.77 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.87 165.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.1 mmt-85 -140.63 141.12 35.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.26 86.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -152.14 170.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -173.93 121.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.12 -136.55 3.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.13 149.74 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.83 156.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -125.34 106.65 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -107.25 139.08 42.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.59 130.74 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 mm -90.04 98.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -70.52 99.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -117.47 161.65 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -25.7 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -81.62 -20.62 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.31 -130.99 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -146.47 114.55 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -87.66 111.11 20.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.18 139.91 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CE2' HG13 ' A' ' 7' ' ' ILE . 71.6 m95 -138.52 146.83 42.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -112.55 137.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.54 137.73 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.03 139.03 45.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.53 -45.26 10.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -44.25 -64.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.48 -167.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.78 69.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 163.58 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 67.5 t -145.45 136.72 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.71 157.33 46.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -103.5 137.23 41.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.31 -157.48 15.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.75 117.35 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.14 147.52 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 -28.04 66.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.99 75.39 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.32 -38.59 60.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.7 t -146.11 151.71 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 m -122.36 100.49 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.99 140.7 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.73 133.43 54.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.95 149.09 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 142.0 33.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -55.9 -32.37 63.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.4 -50.52 63.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -54.24 -53.44 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -61.71 -25.14 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.74 -55.27 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.92 -31.75 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -76.55 -60.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 -24.65 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.64 8.09 70.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.93 56.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -59.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -92.4 169.71 10.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -128.28 154.5 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.48 -46.4 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.14 -38.38 66.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -55.65 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.92 68.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.95 -50.79 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -59.79 -40.87 89.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.52 -37.92 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.37 33.97 4.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -76.85 -30.36 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.6 156.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -121.41 149.04 43.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.35 147.69 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.43 123.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.26 -112.74 2.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.1 73.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.9 -36.96 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.99 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -53.87 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.75 -28.86 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.61 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -62.83 -48.27 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.42 -53.95 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.78 -44.83 93.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.73 -29.4 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 49.1 t -54.75 -26.23 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 tp -57.34 -28.85 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -84.3 -74.75 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.06 135.38 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -175.0 145.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -95.04 134.19 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.53 97.47 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.48 112.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.34 -34.98 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -62.41 -39.49 93.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -67.49 -12.97 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.89 -55.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.412 HG13 ' CE2' ' A' ' 42' ' ' TRP . 32.3 mm -57.78 -33.06 44.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -47.91 -47.2 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -65.27 -32.04 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.08 -56.19 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.31 -45.73 90.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.7 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -38.35 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG11 HD13 ' A' ' 49' ' ' LEU . 26.3 t -54.85 -36.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.86 65.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.79 -29.91 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.09 151.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.95 160.0 27.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.67 7.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.391 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -82.99 -12.59 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.83 -65.08 2.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.28 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.54 165.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 88.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -150.77 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.09 124.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.91 -148.37 13.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.02 146.68 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -122.36 148.45 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -112.44 103.31 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.68 148.29 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.98 124.52 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -96.31 105.71 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -72.56 99.17 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -110.83 164.67 12.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -24.52 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -14.71 45.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.04 -127.31 2.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.6 t -146.57 114.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.91 111.39 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.73 145.0 27.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.412 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -141.76 147.59 37.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.1 134.08 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.7 135.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.98 123.11 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -74.89 -52.0 12.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -41.73 -66.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -91.81 -169.66 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD13 HG11 ' A' ' 14' ' ' VAL . 2.6 mm? -119.76 67.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 166.52 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.4 t -146.19 140.0 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.34 158.77 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -104.62 140.7 37.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.96 -158.96 14.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.5 117.67 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.73 146.72 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.89 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.14 76.2 0.73 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 158.38 57.13 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.58 -36.66 60.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 t -145.56 151.17 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -122.69 113.75 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -114.2 140.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -124.08 113.54 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.61 149.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.58 148.78 51.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.11 -48.62 70.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.94 -43.22 83.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.74 -31.12 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -24.88 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.22 -50.5 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.85 -34.75 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.07 -59.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.74 -24.17 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.1 11.03 63.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 63.23 56.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.51 -58.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -91.39 169.95 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -129.4 159.77 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.95 -47.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.18 55.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -56.83 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.25 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.7 -39.02 84.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -33.46 74.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.29 -40.68 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.22 25.92 7.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.73 -33.31 58.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 mt -95.94 114.61 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.24 149.24 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.44 155.54 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -173.12 157.57 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.89 -104.83 3.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.09 75.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.08 -36.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -47.21 68.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -56.31 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.34 -36.03 60.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.51 -42.17 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -64.63 -44.84 89.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.49 92.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.18 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.49 -33.45 62.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.5 p -57.17 -20.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.4 mm -88.78 -46.9 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 -170.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -51.97 -33.98 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.36 141.19 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -88.99 142.94 27.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.2 m170 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.1 111.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.47 -32.55 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -40.39 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.6 p -66.05 -13.74 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.13 -54.54 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.09 -28.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.18 -35.9 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -74.43 -34.76 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -66.75 -51.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -63.76 -48.75 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.63 60.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -40.64 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' HA ' HG23 ' A' ' 17' ' ' VAL . 21.7 t -51.59 -39.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.97 -16.71 68.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.76 -30.66 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 14' ' ' VAL . 95.0 t -46.51 146.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.83 157.94 88.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -40.18 5.54 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.31 -20.43 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.14 164.74 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -16.1 37.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -142.7 146.01 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -68.22 86.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.4 m -152.27 167.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.37 113.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.2 -139.94 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.09 147.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -127.75 143.04 51.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -104.35 102.1 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.43 143.71 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.46 125.07 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.3 mm -89.12 149.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -118.2 99.37 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -127.53 166.04 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.32 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -18.83 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.88 -129.51 3.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 t -144.57 116.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.0 114.21 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 143.57 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -142.21 146.77 35.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -116.06 130.27 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -130.83 138.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -114.12 140.26 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.11 -43.53 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -44.46 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -104.11 -168.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -113.75 76.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 161.31 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.3 t -145.37 138.28 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.07 159.92 39.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -107.87 138.16 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.67 -154.65 16.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.2 t -110.79 121.58 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.58 146.85 34.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.98 -26.97 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.23 76.17 0.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.07 51.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 -38.08 27.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.9 t -145.2 151.37 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.7 m -115.79 105.27 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -100.68 144.68 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -123.15 132.3 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.03 151.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.07 41.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.07 -35.11 80.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -42.1 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.45 -53.75 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mtp -59.53 -38.5 81.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.54 -47.52 57.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.1 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.8 mt -77.53 -62.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 p -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 2.94 74.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.6 tttt 64.28 56.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -132.46 -60.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.2 169.89 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.8 p -125.31 156.27 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.25 -46.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.31 -43.51 64.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -54.92 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.43 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.66 -49.24 60.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -39.69 89.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -74.73 -39.77 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.71 35.64 3.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.81 -33.32 57.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.3 mm -101.23 156.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.76 143.55 41.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.93 153.02 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -174.9 126.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.98 -14.38 26.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 177.96 102.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.68 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -56.14 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -56.38 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.39 -29.36 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.15 67.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -60.92 -35.25 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.51 -33.62 54.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.92 -33.78 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -75.15 -35.43 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.8 p -57.77 -20.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.0 mm -88.35 -29.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 -171.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -53.54 148.57 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -114.88 169.24 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.35 146.77 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 -171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 64.23 108.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.3 -36.94 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.52 -36.87 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -68.6 -13.34 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.63 -55.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.406 HG13 ' CE2' ' A' ' 42' ' ' TRP . 36.8 mm -62.09 -40.14 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.14 -45.4 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.59 84.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 14' ' ' VAL . 98.2 mt -65.77 -53.12 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.8 -40.85 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.2 72.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -80.67 -53.85 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 10.4 m -48.53 -45.83 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.45 -20.04 49.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.25 -31.64 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.32 145.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 159.36 1.25 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.06 19.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.07 -23.82 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.15 160.67 24.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.26 14.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.96 165.32 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -65.93 86.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.82 168.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.03 111.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 163.12 -137.73 4.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.74 148.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.07 150.8 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -111.4 102.88 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -89.12 148.43 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.07 122.92 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.19 115.07 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -72.28 130.75 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.4 p -135.51 171.46 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.5 -11.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.5 p -105.82 -19.59 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.46 -134.54 3.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 t -145.82 117.21 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.165 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -81.8 111.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -85.34 147.93 26.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CE2' HG13 ' A' ' 7' ' ' ILE . 82.4 m95 -145.08 145.01 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.45 131.7 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.63 140.06 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -113.75 140.03 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -90.49 -45.43 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -43.79 -64.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.97 -168.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.61 69.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 164.94 19.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.15 140.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.21 158.29 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -104.94 139.6 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.82 -158.54 14.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.03 147.64 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -26.46 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -170.07 76.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.51 56.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.92 -41.44 62.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 t -147.75 138.85 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.8 m -101.64 107.66 18.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 p -103.84 143.53 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.3 m -123.2 131.52 53.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.3 150.99 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.46 168.71 53.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.23 -58.52 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -53.15 -52.21 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.87 -53.6 46.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.7 tpp -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.26 -50.35 73.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -31.72 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.7 mt -77.69 -63.59 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -31.01 62.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.71 1.17 63.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt 65.34 56.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -132.18 -60.05 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -89.48 169.61 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -121.79 155.19 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.72 -48.36 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.93 -40.23 49.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -56.93 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.7 72.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -42.61 82.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -65.14 -36.9 85.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.1 -40.29 60.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.38 3.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -91.03 -33.26 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.7 mt -99.24 113.25 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 149.49 21.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.33 170.77 7.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.9 t -172.88 149.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.02 -118.86 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.68 67.69 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.72 -36.64 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.46 62.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -49.07 79.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.9 -27.92 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.46 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -40.84 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 mt -77.5 -55.94 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.65 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.11 -33.45 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.59 -23.15 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.5 tt -50.73 -30.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.05 146.9 14.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.99 141.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -98.87 88.46 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 62.93 59.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -52.05 -62.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.4 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.97 112.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.12 -32.48 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.89 -39.65 94.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 p -66.9 -12.93 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.66 -55.63 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.3 mm -54.78 -38.74 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.44 -47.32 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -32.08 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.51 -55.94 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -46.29 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.82 61.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -79.79 -42.35 24.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 ' HA ' HG23 ' A' ' 17' ' ' VAL . 28.5 t -52.14 -38.84 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.99 -19.01 78.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.18 -32.26 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 14' ' ' VAL . 40.2 t -51.75 149.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.74 144.09 27.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.838 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -39.42 6.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -80.42 -12.19 59.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.17 161.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 74.71 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -155.28 90.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.4 85.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -152.65 146.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.61 110.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 160.62 -136.61 4.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.72 148.88 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.5 141.27 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -107.45 100.29 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -94.75 147.5 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -131.28 126.85 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.58 105.77 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.05 100.93 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -123.1 161.96 23.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.79 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m -74.07 -19.81 60.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.49 -126.45 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -148.92 114.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.42 111.14 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.02 134.84 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -131.39 148.67 52.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -109.95 131.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -133.27 137.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -111.88 142.93 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -95.62 -44.49 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -43.58 -64.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -104.91 -169.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -112.88 71.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 164.76 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.7 t -147.5 141.55 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.22 159.24 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -106.6 141.82 37.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.98 -154.83 16.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.93 121.94 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.04 146.93 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.77 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -171.44 76.56 0.52 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.23 61.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.29 -42.89 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 t -147.42 152.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -112.71 112.98 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.15 147.7 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -123.27 135.49 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.92 149.89 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.82 146.8 37.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.68 -32.23 70.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.08 -55.1 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -53.03 -54.2 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.3 mmt -50.64 -34.53 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.96 -40.76 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.73 80.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 mt -74.93 -63.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -56.17 -26.71 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.66 5.97 67.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 64.32 56.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.0 -59.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.61 169.8 10.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p -121.88 155.55 35.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.6 t -51.23 -45.5 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.02 -43.24 83.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.4 -54.35 41.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.37 -33.93 70.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.4 -49.48 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.62 -40.95 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.65 -37.64 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.03 28.97 7.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -76.93 -32.74 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mt -106.01 113.56 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -92.57 146.13 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mt -119.31 141.08 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -160.6 140.66 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.17 143.17 3.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t0 42.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.18 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -56.59 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -49.75 76.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.57 -28.66 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.5 74.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.99 -44.25 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt -54.88 -44.71 74.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.64 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -53.39 -28.92 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 t -58.69 -21.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.6 tp -51.44 -30.13 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 72.25 -69.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.56 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -158.23 96.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 56.77 31.82 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 54.4 88.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.52 111.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.89 -35.34 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -38.54 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 m -66.89 -13.25 61.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.4 -55.11 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.404 HG13 ' CE2' ' A' ' 42' ' ' TRP . 32.8 mm -66.67 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -42.45 22.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.72 -37.64 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.8 mt -64.23 -52.94 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.71 -41.47 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.03 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.26 -54.79 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 12.0 m -46.75 -45.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.4 -28.54 14.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.28 -31.38 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.1 t -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.71 159.86 28.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.85 6.0 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.61 -14.51 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.38 -66.07 2.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.92 166.04 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 89.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -148.14 172.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -172.44 121.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.73 -159.45 30.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.13 150.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.91 153.01 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -117.98 105.19 11.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mt -92.87 147.82 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.34 130.94 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.1 mm -92.45 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.5 107.66 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -133.83 166.85 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.51 -23.87 65.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -19.3 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.23 -126.61 2.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.0 t -147.62 115.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 112.02 17.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -89.87 137.94 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 80.0 m95 -136.72 138.8 41.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -104.76 130.52 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.72 139.05 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.39 125.92 53.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.6 mp -75.77 -49.69 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -40.76 -64.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -101.96 -178.26 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -107.75 64.73 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 162.39 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -145.59 136.95 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.01 157.84 44.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -104.13 137.52 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.21 -156.34 15.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.97 118.38 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.68 147.47 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -27.17 66.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.33 74.9 0.85 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.717 0.77 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.69 158.7 56.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.396 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.42 -37.24 52.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.7 t -143.39 151.11 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -123.48 103.66 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -101.86 144.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.79 125.48 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 m -143.81 169.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.36 172.99 33.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -47.58 76.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -57.48 12.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.41 -53.6 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.9 tpt -57.34 -26.08 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -73.03 -42.41 63.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.1 84.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.38 -62.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -33.17 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.44 -1.33 70.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 56.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.66 -61.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.47 170.02 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.9 p -118.32 154.75 31.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.0 t -49.84 -47.37 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.0 -43.53 61.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -56.13 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.22 -34.18 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.31 -44.51 79.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -61.86 -34.61 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.15 -42.05 66.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.41 20.58 13.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -78.16 -33.47 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.2 mt -86.91 145.46 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -120.55 147.5 45.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.72 145.68 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.58 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.76 -104.77 0.64 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.75 78.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.51 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -58.94 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.86 -27.65 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.96 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -51.67 -29.18 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -76.39 -52.31 10.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.13 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -51.89 -27.26 12.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.2 p -55.32 -24.74 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.44 -25.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 64.14 -169.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.4 m80 54.69 89.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -110.8 114.79 28.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -147.87 166.79 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -157.54 -64.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.3 112.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.58 -37.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -66.45 -13.69 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.67 -38.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -46.87 -45.07 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -65.17 -32.86 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.5 mt -69.28 -45.22 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 3.2 mtmt -71.32 -41.85 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -80.94 -55.1 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 9.5 m -46.96 -45.95 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.61 -28.55 30.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.01 -32.28 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.5 t -57.63 153.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 158.15 32.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -40.42 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.98 -14.72 62.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.85 -68.7 1.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 179.75 3.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -68.82 159.78 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 87.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -151.17 173.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -173.58 124.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -176.69 -147.36 6.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.79 151.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -138.43 151.07 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -110.33 103.32 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mt -90.14 147.92 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -140.7 126.81 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.8 mm -94.99 109.34 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -71.86 118.0 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -135.66 158.22 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.99 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.22 -13.99 48.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.09 -128.5 2.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.26 116.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 111.25 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.88 144.11 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -142.5 147.12 35.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.18 128.83 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.72 141.47 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.67 140.98 49.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -92.77 -40.51 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -43.7 -64.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.82 -167.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -111.07 70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 160.68 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.2 t -145.49 135.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.46 155.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -103.2 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.11 -158.46 14.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 117.83 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.4 147.29 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -25.58 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 t -170.64 75.49 0.58 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.699 0.762 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.52 62.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.55 -44.66 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -147.23 152.06 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 m -110.09 114.42 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.06 148.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -122.8 134.18 54.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -150.34 150.12 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.15 167.13 53.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -62.04 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.47 -57.95 8.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.2 mmm -62.91 -34.73 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.6 -37.52 65.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.31 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.02 -63.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -30.86 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.09 -1.1 67.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt 64.78 56.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.9 m -131.65 -60.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -86.74 169.51 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 p -118.27 151.94 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -50.84 -36.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.16 94.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.52 -50.55 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.75 73.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.52 -51.27 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -59.83 -43.54 94.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -71.03 -35.3 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 31.56 7.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.41 -33.35 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.0 mt -107.83 110.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.67 148.35 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 165.88 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.34 110.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.92 148.55 24.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.58 82.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.95 71.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.34 -54.68 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -56.64 16.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.08 -28.83 26.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.61 -30.54 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -53.06 -51.42 61.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.08 -22.52 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.29 -28.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.3 -33.84 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.0 m -53.54 -23.34 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 10.3 tp -49.86 -31.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.58 -68.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -171.87 43.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -51.8 127.47 20.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -166.59 149.02 6.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -54.53 119.06 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.87 108.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -53.62 -39.3 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -70.79 -13.84 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.5 -55.23 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' A' ' 42' ' ' TRP . 34.9 mm -63.38 -32.77 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -47.12 -41.52 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -71.03 -36.04 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.5 mt -65.43 -52.08 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.2 -41.21 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.37 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.05 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -81.44 -51.4 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 12.8 m -51.4 -43.31 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.38 -8.04 42.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.18 -22.15 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 13' ' ' ARG . 2.6 p -71.54 160.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.35 160.01 27.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.85 7.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.53 -13.97 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.9 -66.12 2.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.68 5.32 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.746 2.297 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -68.68 165.67 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 89.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 m -150.47 173.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -171.69 127.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.22 -153.12 22.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.91 149.35 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.91 159.11 33.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -125.11 105.54 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 mt -94.92 147.84 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.21 125.71 20.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mm -96.02 98.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -72.18 99.8 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.3 p -108.77 -178.59 3.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.3 -22.6 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -22.34 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.65 -132.43 2.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.2 t -144.56 114.8 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 110.84 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.15 142.62 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -138.98 146.03 40.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.15 134.14 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.46 137.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -111.42 125.35 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -72.91 -51.29 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.12 -66.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -95.75 -167.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -120.97 64.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.48 164.74 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.9 t -146.25 129.46 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.81 157.75 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -103.2 135.36 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.87 -159.54 16.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.33 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.78 147.15 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.4 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.46 76.03 0.83 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.678 0.751 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.42 53.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -77.05 -35.1 57.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.8 t -145.02 151.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -126.99 100.8 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 p -100.59 142.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -123.58 127.58 48.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.25 165.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.65 138.91 14.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -49.61 -31.73 11.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -71.24 -41.23 70.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.66 -55.47 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.92 -33.87 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.09 -40.7 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.63 -31.36 66.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.24 -61.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.51 3.43 73.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 63.82 56.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.8 m -138.34 -58.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -88.62 169.87 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -129.12 153.91 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -50.78 -47.29 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.83 61.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -56.86 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.88 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.6 -50.43 44.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.33 -40.42 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.57 -39.21 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.97 27.5 8.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -76.8 -31.37 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 mt -86.47 126.85 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -92.79 147.89 22.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.03 143.89 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -173.25 137.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.01 -104.93 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.22 78.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -37.28 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -47.18 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -52.79 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.14 -28.98 28.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.35 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -42.68 66.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.54 -38.71 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.57 62.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -75.2 -50.6 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.2 m -52.69 -27.19 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 45.9 mm -88.1 -33.87 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -178.78 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 63.11 34.59 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.07 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -129.7 115.73 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 61.17 97.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.08 109.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -71.3 -29.14 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.75 -44.66 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 t -62.93 -14.08 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.3 mm -83.37 -52.95 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.91 -34.11 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -46.16 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -68.75 -32.28 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.14 -55.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HE2' ' HB ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.97 -49.2 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.44 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -80.88 -44.07 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.5 t -47.96 -42.43 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.9 -28.22 39.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.73 -31.04 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.4 t -50.19 144.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.27 157.39 33.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.857 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.72 6.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -77.68 -14.05 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.91 -69.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -166.0 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -67.39 162.23 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -66.43 86.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.6 m -152.77 173.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.31 122.2 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.89 -141.41 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.85 145.67 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -124.74 158.94 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -118.88 100.23 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.75 147.36 26.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.69 128.78 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -94.43 161.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -117.64 106.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 t -131.62 169.44 16.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.81 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -17.71 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.98 -125.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -146.98 114.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -77.97 111.77 14.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.13 134.8 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -132.34 148.07 52.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 mt -112.81 129.78 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -131.84 139.63 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -113.45 142.91 45.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.18 -43.17 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -44.44 -64.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -105.07 -167.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -113.0 76.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.58 34.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.407 ' HB ' ' HE2' ' A' ' 11' ' ' LYS . 24.8 t -147.84 142.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.72 160.81 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -106.53 140.68 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.42 -155.74 16.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.8 t -111.14 120.66 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.04 143.9 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.15 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -172.15 78.99 0.47 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.9 48.01 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.53 -36.58 20.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 36.8 t -147.87 139.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 m -107.67 126.44 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -122.2 144.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.96 131.99 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -149.99 150.58 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.0 169.87 38.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -54.26 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.24 -51.76 31.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.01 -54.03 41.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.52 -24.5 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.03 -51.44 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.37 -29.39 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -79.65 -63.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -56.33 -29.47 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.13 -0.86 66.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 64.75 56.83 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.5 m -133.67 -59.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 mt -89.19 169.66 11.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -118.29 149.7 40.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.6 -42.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.85 95.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.01 -53.11 59.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.94 69.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tp -68.64 -45.7 71.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -62.05 -37.85 86.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.22 -41.89 73.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.77 26.97 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.77 -33.39 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -99.8 115.37 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -92.03 148.62 22.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -111.87 171.37 7.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -172.53 133.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.03 -117.71 5.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 67.48 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.326 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.44 -37.14 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.52 -48.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -59.65 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.03 -28.98 66.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.99 -39.83 79.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -63.27 -32.04 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -46.56 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.73 -32.18 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -75.66 -34.8 60.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -23.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.8 mp -89.4 -54.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.42 169.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -166.01 32.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.82 -169.9 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -126.35 176.52 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.99 173.24 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ttm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.04 110.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.57 -37.99 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.74 -38.86 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 m -67.47 -13.4 62.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mm -84.72 -55.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.423 HG13 ' CE2' ' A' ' 42' ' ' TRP . 33.6 mm -64.81 -35.99 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.47 -46.12 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.44 -32.88 73.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.43 -56.02 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -44.66 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -41.89 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -31.36 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG13 HD13 ' A' ' 49' ' ' LEU . 43.2 t -64.68 -37.09 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.01 -7.31 81.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.21 -22.72 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.7 p -72.61 145.73 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.98 158.72 33.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -40.83 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -78.63 -13.7 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -67.53 1.69 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -68.46 165.24 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.71 88.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 m -151.16 165.5 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -175.34 113.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.69 -142.33 3.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -146.29 149.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -134.26 144.57 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -108.86 101.84 10.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -98.1 142.36 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.04 125.32 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.1 mm -84.13 152.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -118.26 99.13 6.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.2 p -109.63 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -20.52 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.36 -129.29 2.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 t -144.7 118.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -91.92 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -85.48 142.57 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.9 m95 -139.83 147.42 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -112.97 129.0 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.48 139.59 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.99 141.23 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 -40.4 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.7 -63.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -110.19 -175.67 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.408 HD13 HG13 ' A' ' 14' ' ' VAL . 2.1 mm? -102.91 76.43 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.92 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.7 t -145.7 141.74 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -106.87 144.0 34.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.24 -157.03 15.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -112.52 118.46 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.403 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.7 148.52 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.8 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -167.8 74.45 0.93 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.6 Cg_endo -69.75 158.34 57.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.35 -42.7 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 t -147.99 152.25 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 m -111.58 111.67 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -108.51 146.21 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -123.9 140.5 52.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.61 169.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.12 149.78 20.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.13 -42.27 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.32 -40.44 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.41 -58.42 6.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -24.41 39.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -48.2 65.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.61 95.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -74.83 -63.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -56.29 -25.84 49.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.65 4.41 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 64.24 56.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.72 -58.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -89.49 169.92 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.8 p -127.12 156.51 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.9 t -51.14 -47.15 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.88 -44.09 61.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -55.15 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -33.49 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.14 -49.06 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.91 -39.88 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.97 30.7 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.82 -33.48 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.303 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mt -96.53 119.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -95.92 147.56 23.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.16 159.46 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.23 111.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.3 146.03 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.29 86.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.26 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -56.41 5.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.83 -53.51 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 -30.3 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.84 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.4 -51.26 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 tp -56.75 -28.93 62.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.52 -52.93 7.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.72 -35.45 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.8 p -56.03 -20.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 33.1 mm -84.19 -41.48 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -73.49 129.18 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 53.11 35.84 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.86 136.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.2 m170 52.98 89.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -73.16 84.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.85 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -49.39 -29.57 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -65.88 -11.88 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.1 mm -83.34 -55.17 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 mm -59.99 -42.63 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -47.46 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -33.05 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 14' ' ' VAL . 95.7 mt -70.56 -43.71 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 3.6 mtmt -71.75 -42.11 67.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.59 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -80.83 -55.27 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 8.5 m -46.65 -46.31 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.73 -29.23 25.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.59 -32.39 11.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.86 155.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.02 157.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.641 0.734 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.16 5.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.76 -13.23 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.96 159.16 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.36 87.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -151.8 173.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -171.43 121.99 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.54 -135.03 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.1 150.46 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.13 153.99 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -120.08 101.89 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.32 145.01 27.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -126.43 128.96 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 mm -94.46 107.15 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -74.41 99.14 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.2 p -101.15 169.67 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.44 -4.42 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -112.0 -18.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.86 -134.19 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -146.19 114.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.18 111.77 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.69 142.03 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -138.82 144.86 39.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.4 mt -107.65 137.76 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.84 138.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.98 138.34 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -45.39 10.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -44.31 -64.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.65 -168.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -116.88 69.73 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 166.08 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 77.3 t -144.84 137.72 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.1 157.48 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -104.31 139.99 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.15 -159.21 14.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.05 116.46 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.41 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.8 t80 -51.47 147.63 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -28.98 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.63 75.89 0.95 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.9 Cg_endo -69.75 157.21 61.2 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.06 -42.61 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.2 t -148.25 144.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.3 m -110.3 113.59 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.23 143.99 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.44 134.29 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -144.97 149.13 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 151.32 42.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -66.16 -43.67 86.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.03 -45.65 66.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.06 -56.08 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 tpp -55.14 -37.7 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -54.35 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.41 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -75.85 -62.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -22.06 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.74 9.38 65.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.83 56.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -57.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mt -87.46 169.41 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.83 157.06 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -55.06 -30.36 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.9 -46.54 81.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.33 -46.43 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.68 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -50.49 36.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -44.05 92.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.75 -39.0 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 31.36 5.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.87 -33.28 57.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.2 mt -99.12 119.18 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -92.3 149.27 21.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.44 163.58 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.8 t -173.09 159.78 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.2 -115.12 5.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.35 69.61 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.806 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -36.56 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -47.54 65.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -53.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -29.83 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.64 -30.71 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -28.55 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.2 -55.65 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.5 84.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -51.44 -32.03 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 50.1 t -53.54 -23.67 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 tt -50.0 -32.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.35 -75.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.7 t60 63.66 106.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.62 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -56.9 110.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.04 90.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 65.82 114.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.33 -32.75 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.19 -40.28 97.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -66.17 -13.39 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mm -84.7 -54.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.6 mm -68.96 -31.44 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -45.21 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -63.23 -34.99 78.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.0 mt -66.98 -50.31 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -63.35 -42.86 98.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.16 75.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -78.26 -56.55 4.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 5.5 m -52.92 -45.62 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.19 -12.08 79.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.9 -31.91 12.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.2 t -49.39 150.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.56 142.78 71.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.74 10.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -78.59 -15.32 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.28 61.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -122.16 158.67 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 83.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -155.07 163.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.3 112.71 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.57 -148.57 19.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 t -143.41 149.04 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.74 157.17 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -125.18 105.44 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.7 mt -94.01 148.35 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -139.96 126.24 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mm -95.5 100.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.58 100.08 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.0 p -109.99 -179.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.1 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -21.62 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.26 -133.89 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -144.5 114.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -84.7 110.62 18.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.73 141.71 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -138.03 146.79 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.66 134.99 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -137.46 134.67 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -105.4 128.4 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mp -73.9 -56.38 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -41.89 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -89.76 174.47 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -107.37 67.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.39 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -145.3 134.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.53 157.12 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.94 135.79 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 -159.46 15.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.42 117.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.4 t80 -53.0 147.94 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.86 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.51 74.57 1.15 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.76 159.7 52.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -75.46 -35.75 60.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 t -145.59 151.38 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -126.48 105.67 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -106.24 139.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -124.82 114.29 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.38 160.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.46 148.14 35.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.35 -33.87 76.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.13 -55.0 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -52.56 -53.59 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.2 tpp -59.3 -30.95 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.9 -55.82 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.18 -29.4 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.89 -59.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -24.47 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.81 5.64 74.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.04 56.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -139.44 -58.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mt -89.91 169.82 10.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -127.91 160.32 32.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -54.29 -47.34 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.68 -42.69 59.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -55.46 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.33 70.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -67.72 -40.79 84.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -64.97 -32.45 74.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.92 -43.02 72.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.42 20.1 12.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -76.81 -33.7 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.3 113.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -92.13 145.63 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.44 148.8 32.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.09 119.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.31 -104.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.94 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.95 -37.15 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -46.82 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -53.08 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.76 -29.69 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.27 88.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.88 70.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.48 -44.99 56.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 -30.42 62.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.46 -55.48 6.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.58 -28.61 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.7 mm -87.55 -27.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -171.99 133.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 63.47 85.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -107.46 119.99 40.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.0 t60 63.11 90.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -85.4 -59.31 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.765 0.316 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.93 113.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.7 t -49.45 -29.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -42.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -66.12 -11.66 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.2 mm -83.52 -55.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.406 HG13 ' CE2' ' A' ' 42' ' ' TRP . 27.6 mm -56.15 -43.0 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -47.35 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -33.25 75.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.7 mt -69.19 -53.55 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 7' ' ' ILE . 3.8 mtmt -62.21 -49.5 75.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.23 -33.95 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -78.9 -46.49 18.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.45 ' HA ' HG21 ' A' ' 17' ' ' VAL . 39.9 t -49.56 -45.02 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.16 -21.48 61.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.55 -32.1 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 14' ' ' VAL . 63.8 t -49.93 146.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.89 156.9 86.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.03 4.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.79 -19.98 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.1 165.7 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -14.12 35.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.376 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -147.81 141.5 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -67.99 87.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.6 m -151.53 170.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.12 122.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.13 -138.54 3.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -144.96 151.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -134.54 144.8 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -112.42 101.88 10.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.69 147.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -129.87 130.24 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 mm -92.93 102.86 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 103.09 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.0 t -122.66 166.97 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.02 73.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -72.91 -17.84 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.95 -126.15 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.93 114.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -89.33 111.05 21.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.41 134.78 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CE2' HG13 ' A' ' 7' ' ' ILE . 78.5 m95 -131.86 146.9 52.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.2 mt -109.84 131.55 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.13 139.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.68 140.4 49.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.08 -44.17 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -63.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -107.12 -175.97 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HA ' HG11 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -106.6 74.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 162.13 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.6 t -145.23 139.9 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.73 38.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -108.94 141.47 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.94 -153.71 17.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.03 121.46 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.442 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 4.9 t80 -57.34 149.11 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.23 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -169.19 74.67 0.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.674 0.75 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.1 Cg_endo -69.78 155.32 66.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.46 -43.71 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.73 149.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -112.04 99.21 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.82 147.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -124.1 136.32 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 p -151.7 149.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.43 149.95 47.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -65.35 -34.0 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.35 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.45 -49.94 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -41.6 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.93 -40.55 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.35 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.2 mt -74.67 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 t -55.76 -24.51 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 9.95 65.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 63.31 56.57 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.56 -59.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mt -94.62 169.95 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.8 p -124.01 149.39 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.14 -43.3 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.07 92.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -53.93 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.75 -34.07 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -67.62 -46.51 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -61.5 -38.77 88.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -72.47 -40.17 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.83 9.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -76.81 -32.48 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.08 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -109.07 149.81 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.75 172.08 7.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.3 -164.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.98 -171.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 43.4 68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.65 -38.01 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -52.5 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -58.23 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.25 -41.1 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -28.11 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.3 -38.06 43.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.62 -47.09 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -51.99 -33.42 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.41 -44.16 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.2 mp -88.84 -40.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 114.63 27.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 90.31 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -145.86 166.42 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -153.12 159.24 42.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -136.3 143.61 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.29 111.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.61 -37.39 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.79 95.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -65.83 -14.48 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -84.38 -54.17 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm -72.86 -31.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.19 -43.98 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -65.06 -33.98 77.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.8 -49.24 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 1.5 mtmt -63.4 -42.44 98.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.27 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -79.72 -55.19 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 11' ' ' LYS . 6.7 m -52.07 -44.99 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.73 -13.09 68.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.37 -32.28 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG23 ' HA ' ' A' ' 14' ' ' VAL . 45.2 t -51.49 151.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.44 156.84 1.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.2 11.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.95 -25.17 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.06 82.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 73.79 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.22 122.78 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.84 85.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.3 m -152.94 158.53 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.28 113.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.62 -153.43 25.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -144.63 144.52 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-30 -121.28 162.49 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -124.86 100.84 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.73 147.85 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.91 124.96 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 mm -87.85 149.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 98.99 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.3 t -130.49 164.54 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -29.78 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -72.93 -16.95 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.55 -127.83 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -149.99 116.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.5 112.29 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.45 139.2 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -137.19 143.03 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.0 135.99 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -137.23 138.66 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.88 131.13 55.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.96 -57.23 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.91 -66.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -92.73 174.14 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 3.3 mm? -107.91 69.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.73 164.9 21.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.4 t -145.54 131.38 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.76 156.32 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.52 132.9 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.35 -154.71 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -115.7 121.07 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.34 146.01 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.78 67.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -167.86 75.04 0.92 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.65 52.66 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.11 -28.85 23.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.08 152.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -129.19 109.35 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.2 p -113.01 144.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -123.48 137.2 54.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.56 150.38 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.35 153.4 52.91 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.42 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.58 -43.42 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.6 -57.4 10.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.9 mmt -58.43 -29.39 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -52.54 64.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.03 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.5 mt -76.11 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.34 -27.6 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.0 3.74 78.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.45 56.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -131.77 -60.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.32 169.57 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.5 p -122.55 153.88 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -51.78 -41.8 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.29 95.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.75 -54.12 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -34.02 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.0 tp -69.02 -49.23 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.19 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.69 -41.01 79.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.54 28.36 7.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.9 -33.53 57.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 mt -92.24 123.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.9 149.16 21.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.87 150.04 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -173.23 138.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.8 -105.14 2.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.07 77.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.97 -38.45 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -56.85 -49.3 75.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -58.76 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.18 -29.0 63.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.72 -34.77 40.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -29.31 24.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 53.1 mt -76.35 -55.28 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.2 -30.24 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.65 -30.06 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -57.37 -23.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.4 tt -51.42 -30.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -67.92 91.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -167.55 172.04 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -110.68 107.82 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -95.73 130.73 42.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.3 m80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.57 112.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.3 t -67.97 -32.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.32 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.9 p -67.18 -12.75 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -85.02 -55.48 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.4 -33.91 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.59 -46.86 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -35.02 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.6 mt -67.54 -54.07 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -62.34 -46.8 87.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.48 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.26 -29.69 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.38 -38.39 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.61 -9.06 82.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.77 -25.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -79.39 139.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.76 157.67 33.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.91 11.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.0 -11.09 60.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.44 174.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.22 8.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 90.58 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -78.28 89.11 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -145.63 154.65 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.59 114.46 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.29 129.6 2.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.55 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 t -62.25 148.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.5 149.42 51.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -111.4 101.29 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.81 145.74 27.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.1 127.09 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mm -93.68 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -117.61 108.23 15.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.0 t -133.2 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.03 64.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -18.26 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 150.08 -125.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -147.94 114.59 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -77.12 111.81 13.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.08 137.8 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -135.04 151.28 50.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.47 131.38 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.51 137.79 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.97 108.23 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.58 -55.65 19.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.18 -64.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -88.71 -169.81 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -122.75 75.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 166.5 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.1 t -146.21 139.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.16 159.76 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.41 140.71 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.17 -155.91 15.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -112.99 121.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.57 143.88 49.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.64 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 t -170.13 78.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 161.65 45.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -83.66 -33.69 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -146.87 151.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 m -121.09 100.48 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.9 p -97.66 142.82 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 125.98 46.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 m -142.98 169.19 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.38 172.47 23.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.95 -56.09 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.68 -47.56 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -52.8 -56.07 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.8 mtt -66.02 -24.11 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.44 -43.33 99.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.79 -33.53 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.34 -63.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -28.75 58.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.07 -0.83 66.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.03 56.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.1 m -135.83 -58.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mt -88.48 169.92 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.26 157.88 32.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.35 -27.96 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.81 -43.55 58.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -49.46 77.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.47 72.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.36 -49.97 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -60.41 -40.93 92.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -74.41 -35.61 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.26 6.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.65 -32.26 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.3 mm -88.37 154.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.4 148.91 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.6 142.02 47.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.8 110.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.78 -104.83 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.58 79.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.7 -37.56 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -48.45 62.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -49.3 55.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.53 -28.8 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.95 74.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -55.68 -43.8 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -41.14 97.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.35 -29.74 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.01 -50.09 15.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.3 m -64.24 -38.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.6 tp -74.29 -20.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.05 169.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -97.99 35.61 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.02 -172.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -76.54 67.49 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -122.19 150.13 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.2 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.33 -36.7 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -61.23 -41.37 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -65.86 -13.65 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.61 -54.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 10' ' ' ILE . 30.2 mm -63.87 -37.62 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.52 -46.16 27.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -63.26 -32.74 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 14' ' ' VAL . 89.4 mt -68.86 -46.82 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.8 -30.15 69.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -50.47 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 10' ' ' ILE . 13.3 m -51.84 -43.42 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.37 -7.19 51.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 175.89 -139.54 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -147.21 144.79 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -124.87 153.51 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -113.14 104.09 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.711 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.9 mt -90.91 147.55 23.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.405 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -141.98 125.85 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.544 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.9 mm -95.51 109.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 116.82 10.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -134.1 157.17 46.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.28 67.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.0 m -86.62 -14.16 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.85 -128.17 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -152.6 116.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.01 111.15 19.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.66 147.0 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CE2' HG13 ' A' ' 7' ' ' ILE . 76.6 m95 -145.43 147.48 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.67 132.0 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.08 137.19 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.04 138.29 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -89.77 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HD3' HD12 ' A' ' 26' ' ' LEU . 15.1 mttt -44.04 -64.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.651 ' C ' HD22 ' A' ' 49' ' ' LEU . 2.3 mm-40 -101.91 -166.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 48' ' ' GLN . 2.8 mm? -118.22 73.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 166.55 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HG2' ' A' ' 11' ' ' LYS . 74.7 t -145.04 135.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.83 155.82 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.8 140.53 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.93 -160.23 13.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.2 p -113.63 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.18 145.7 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.01 -27.84 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -170.24 77.47 0.62 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.59 59.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.2 m-20 -73.52 -37.86 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.8 t -146.1 151.41 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.405 HG22 HD21 ' A' ' 32' ' ' ASN . 5.2 m -119.64 113.3 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.711 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -111.96 139.11 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 m -124.73 113.98 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 89' ' ' ILE . 3.4 t -128.28 161.32 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -80.42 164.67 47.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.98 -53.33 40.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.84 -50.59 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.63 -56.33 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -54.18 -26.53 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -48.93 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.686 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.22 -39.45 92.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.64 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.491 ' CB ' HG23 ' A' ' 6' ' ' ILE . 2.6 t -55.71 -29.11 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.39 -0.6 72.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.98 56.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.7 m -134.43 -59.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -85.22 169.56 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.7 p -117.41 151.58 36.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -50.47 -41.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.62 -41.55 98.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.681 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -62.62 -53.38 55.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.98 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 tp -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -62.57 -35.81 80.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -69.85 -41.52 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 21.94 11.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -76.75 -33.07 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.734 ' HA ' HG22 ' A' ' 65' ' ' VAL . 16.4 mt -90.69 110.58 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -94.8 142.31 27.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 158.23 18.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -173.91 123.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 -110.97 2.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -99.99 73.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.65 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.53 -47.72 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -66.59 -48.74 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.705 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -58.98 -28.26 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -30.57 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.32 -55.43 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.78 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.484 HG21 ' OE1' ' A' ' 40' ' ' GLU . 75.0 t -56.02 -28.51 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.546 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.9 m -64.39 -13.68 52.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.68 -54.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.664 HD13 HD12 ' A' ' 10' ' ' ILE . 33.3 mm -68.67 -36.96 76.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.97 -43.68 29.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.546 ' NH1' HG22 ' A' ' 5' ' ' THR . 3.0 mpt_? -70.49 -32.7 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 72.8 mt -68.82 -55.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.22 -45.49 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.39 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -80.31 -40.97 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.721 HG12 ' HB3' ' A' ' 49' ' ' LEU . 24.6 t -50.55 -37.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.21 -24.19 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.43 -135.83 2.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.73 148.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -127.93 150.52 49.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -113.0 103.74 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -91.93 148.29 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.9 125.45 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' CG2' HD23 ' A' ' 67' ' ' LEU . 4.3 mm -95.6 106.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -72.73 110.34 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 67' ' ' LEU . 15.1 t -126.56 170.79 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.12 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -14.32 56.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.41 -125.39 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.53 115.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 4.9 mt-10 -84.08 110.81 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.35 144.54 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -141.55 146.36 36.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.75 129.93 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.28 138.15 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -112.12 139.45 47.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -42.87 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -44.78 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.475 ' C ' HD13 ' A' ' 49' ' ' LEU . 28.0 mt-30 -103.5 -167.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.721 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -113.99 71.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 160.79 36.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 11' ' ' LYS . 42.3 t -145.87 141.21 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.71 160.0 40.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -105.03 142.01 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.14 -158.06 14.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.83 118.23 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -54.19 146.93 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.9 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -169.57 76.07 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.45 53.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.56 -36.25 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.8 t -145.82 151.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 m -126.03 109.13 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 89' ' ' ILE . 1.5 p -112.41 144.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -122.98 133.5 54.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.525 ' HB ' HG23 ' A' ' 89' ' ' ILE . 6.9 p -149.74 150.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.15 165.82 54.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -66.47 -52.55 45.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.52 -55.66 10.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -52.29 -53.62 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.71 -39.52 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -50.43 -50.98 50.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -58.82 -33.05 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.2 mt -75.29 -62.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 p -55.87 -30.48 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.29 0.41 74.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 64.1 56.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.14 -60.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -92.09 169.86 10.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.2 p -120.06 153.71 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 m -51.16 -41.6 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.08 -41.86 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.688 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.77 -54.33 40.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.98 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.54 -43.98 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -62.04 -34.09 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.11 -41.11 74.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.61 19.13 21.22 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.68 -33.16 58.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 63' ' ' VAL . 3.8 mt -93.15 122.88 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -92.23 148.76 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.71 149.35 31.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 t -173.32 136.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -109.39 3.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.48 76.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.338 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.09 -36.44 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.17 -47.93 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -54.0 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.779 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.92 -28.86 58.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.95 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -52.81 -42.73 65.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.941 0.4 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.53 HG22 HG21 ' A' ' 33' ' ' ILE . 81.3 t -50.45 -37.26 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.26 -44.64 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.09 -15.77 57.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 70' ' ' MET . 4.0 mm -83.42 -55.13 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 10' ' ' ILE . 37.4 mm -66.92 -41.38 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -39.9 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -32.72 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.781 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.9 mt -70.19 -55.61 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.01 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.79 -31.54 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.8 t -62.91 -38.22 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.41 -6.07 79.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.085 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.95 -139.27 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -145.97 148.3 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.83 152.55 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -120.21 104.02 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.48 141.4 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.4 129.41 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 3' ' ' VAL . 9.1 mm -86.77 155.85 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 9.1 ttpt -117.35 106.93 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 38' ' ' GLY . 9.5 t -129.72 168.04 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -22.67 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -16.59 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' H ' HG23 ' A' ' 35' ' ' THR . . . 147.75 -124.17 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.0 t -146.23 117.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 14.8 mt-10 -86.98 112.11 21.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.429 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 1.3 mt-30 -87.54 141.55 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -138.9 149.73 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -114.59 132.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -132.91 139.39 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.8 142.71 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.35 -42.06 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 26' ' ' LEU . 7.4 mtmt -44.42 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -105.55 -166.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.4 mm? -113.81 75.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 164.02 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.6 t -147.59 141.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.33 159.87 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -106.18 143.09 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.79 -157.78 14.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.0 p -114.0 116.54 52.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.83 148.28 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.84 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.77 74.37 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.44 49.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.35 -39.7 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.6 t -146.05 151.35 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -117.05 100.97 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 89' ' ' ILE . 2.7 p -99.25 145.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -123.08 129.0 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.88 150.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -82.52 172.08 51.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -65.15 -56.76 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.5 -53.21 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.92 -53.54 47.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.438 ' SD ' HG21 ' A' ' 6' ' ' ILE . 3.0 ttt -64.3 -24.44 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.04 -48.04 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.4 -30.69 71.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.8 mt -79.72 -63.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 p -56.77 -31.76 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.9 -0.96 66.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.12 56.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.41 -60.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -88.76 169.29 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.3 p -114.29 149.73 35.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.4 t -49.17 -43.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.95 95.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.721 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.79 -54.29 37.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.833 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.18 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.58 -45.15 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -61.91 -37.49 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.39 -41.92 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.44 33.51 5.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -88.4 -33.09 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.485 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -100.66 112.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.22 148.73 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 163.2 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -173.7 143.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.38 -108.0 3.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 73.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.69 -36.69 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -46.9 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -55.54 16.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.33 -28.58 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -28.99 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.56 -35.35 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.648 HG11 ' OE2' ' A' ' 40' ' ' GLU . 55.7 t -51.3 -36.91 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -42.0 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.489 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -64.62 -14.89 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' CD1' HD22 ' A' ' 71' ' ' LEU . 4.3 mm -82.68 -54.31 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 10' ' ' ILE . 36.5 mm -68.14 -39.45 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.89 -45.34 30.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.489 ' NH1' HG22 ' A' ' 5' ' ' THR . 18.7 mtt85 -70.68 -31.55 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.8 mt -69.54 -55.84 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.83 -45.42 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.05 -42.25 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -80.55 -34.14 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' HB3' ' A' ' 49' ' ' LEU . 25.6 t -60.69 -34.33 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.92 -5.23 90.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -177.41 -141.94 4.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -145.63 147.45 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.52 154.55 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -122.2 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.7 pp -102.35 142.98 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -125.85 130.7 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 31' ' ' LEU . 6.7 mm -94.95 105.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -68.92 104.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.089 HG22 HD21 ' A' ' 67' ' ' LEU . 18.0 p -109.78 154.56 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.21 -17.22 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -98.94 -17.1 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.34 -134.47 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.0 t -148.08 116.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.648 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.4 mt-10 -88.48 111.01 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -86.04 142.48 28.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.426 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.5 m95 -138.22 147.7 44.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -113.12 131.8 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.94 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.34 140.62 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -93.9 -42.25 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.2 mtmt -44.16 -64.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -105.62 -168.39 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.18 69.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 161.64 29.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.674 HG21 ' HG2' ' A' ' 11' ' ' LYS . 43.1 t -145.93 140.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.11 159.08 42.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -105.42 142.33 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.85 -157.52 14.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -114.21 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.3 t80 -52.36 148.78 6.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.33 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -166.39 73.85 1.18 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.7 Cg_endo -69.77 159.86 51.82 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -74.9 -39.49 61.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.5 t -146.44 151.68 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -123.27 110.51 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG22 ' A' ' 89' ' ' ILE . 1.5 p -110.92 143.07 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -123.02 130.79 53.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.705 ' CG1' HG23 ' A' ' 89' ' ' ILE . 6.1 m -143.12 165.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.3 161.48 28.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.089 HD21 HG22 ' A' ' 35' ' ' THR . 0.4 OUTLIER -54.22 -61.02 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.972 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.32 -43.26 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.98 -53.89 53.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.56 ' HG2' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.28 -23.96 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.17 -45.85 75.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.599 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -64.93 -41.83 95.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.65 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.54 -28.01 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.05 2.53 69.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 64.91 56.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 m -134.98 -59.58 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.5 169.63 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.9 p -118.8 151.59 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.25 -44.54 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.15 -41.61 86.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.698 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.36 -54.78 31.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -58.71 -34.4 71.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.46 -44.96 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -61.51 -34.43 75.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.92 -38.76 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.6 22.99 14.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -78.27 -33.26 49.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.705 HG23 ' CG1' ' A' ' 65' ' ' VAL . 3.3 mt -89.76 117.35 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.97 144.64 25.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 98' ' ' ALA . 5.4 mt -109.16 152.03 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 124.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.22 -114.47 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.84 73.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.76 -36.07 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.78 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -59.17 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.668 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.95 -27.23 29.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -29.24 17.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.6 -34.86 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.595 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.655 HG11 ' OE1' ' A' ' 40' ' ' GLU . 5.2 p -67.92 -31.37 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -38.77 90.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 2' ' ' SER . 55.2 p -67.5 -12.22 59.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.28 -55.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 10' ' ' ILE . 29.6 mm -54.78 -43.18 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -47.36 -45.72 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -32.71 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.0 mt -68.9 -56.58 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.651 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.41 -48.96 77.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.87 -33.25 35.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -79.86 -47.7 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.887 HG12 ' HB3' ' A' ' 49' ' ' LEU . 26.1 t -49.53 -42.95 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.75 -26.22 59.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.75 -171.03 28.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -108.81 148.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -127.14 149.27 50.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -118.61 102.86 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -96.49 141.36 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -120.62 128.37 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.455 HG22 ' HG ' ' A' ' 67' ' ' LEU . 9.1 mm -93.63 101.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.12 111.23 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.656 ' HB ' HD21 ' A' ' 67' ' ' LEU . 7.6 t -128.46 163.66 24.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.5 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -82.19 -12.48 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.34 -126.69 2.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.31 114.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.655 ' OE1' HG11 ' A' ' 3' ' ' VAL . 5.1 mt-10 -87.49 109.82 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.18 136.21 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -131.06 145.42 52.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -106.89 134.03 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.49 138.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.98 118.74 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.5 mp -71.02 -56.48 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -41.78 -64.63 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.92 179.34 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.887 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.16 66.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 168.51 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.651 HG21 ' HG2' ' A' ' 11' ' ' LYS . 52.9 t -147.53 142.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.58 159.56 41.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.24 141.7 37.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.34 -156.01 15.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.8 120.03 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.33 146.7 23.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.65 -26.87 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 t -170.3 76.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 159.37 53.72 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.94 -37.11 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.1 t -146.27 152.0 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -123.75 106.01 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' HG22 ' A' ' 89' ' ' ILE . 4.1 p -104.91 149.11 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 m -122.28 129.07 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.45 HG13 ' HG3' ' A' ' 70' ' ' MET . 7.5 p -149.71 150.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.03 167.83 52.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -66.59 -51.08 60.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.83 -57.44 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -53.46 -52.04 60.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.85 -29.31 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.75 -42.36 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -65.48 -42.97 91.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.01 -63.57 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.516 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.7 p -56.69 -26.13 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.73 5.18 70.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 tttt 64.11 56.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.23 -59.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -91.23 169.62 10.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.0 p -117.36 150.67 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.83 -42.66 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.45 95.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.88 -54.52 33.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' HB1' ' OD2' ' A' ' 69' ' ' ASP . . . -58.54 -34.14 70.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.9 -44.76 76.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -61.76 -35.94 79.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.28 -41.09 73.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.07 21.45 13.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -76.72 -33.4 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.504 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -96.96 111.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -92.61 144.82 24.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.97 160.31 14.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 143.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.29 -111.35 4.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.6 76.49 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.28 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.23 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -53.04 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.13 -28.43 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.59 88.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -52.75 -39.64 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.8 mt -62.42 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.773 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -50.51 -30.82 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -41.8 97.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -14.24 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.14 -55.06 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.568 HD13 HD12 ' A' ' 10' ' ' ILE . 36.6 mm -65.95 -38.86 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -35.83 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.43 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 14' ' ' VAL . 97.4 mt -65.01 -51.59 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.717 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.93 71.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.94 -54.19 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.4 m -46.88 -45.99 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.75 -28.89 24.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.854 0.359 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.12 -136.55 3.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.13 149.74 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.83 156.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -125.34 106.65 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.5 pp -107.25 139.08 42.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.601 ' OD1' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -125.59 130.74 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.7 mm -90.04 98.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.0 mtpt -70.52 99.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.718 ' HA ' HD22 ' A' ' 67' ' ' LEU . 3.6 t -117.47 161.65 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -25.7 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -81.62 -20.62 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.441 ' H ' HG23 ' A' ' 35' ' ' THR . . . 156.31 -130.99 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.1 t -146.47 114.55 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -87.66 111.11 20.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.18 139.91 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HG13 ' A' ' 7' ' ' ILE . 71.6 m95 -138.52 146.83 42.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -112.55 137.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.54 137.73 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.03 139.03 45.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -88.53 -45.26 10.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.6 mttt -44.25 -64.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.48 -167.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.78 69.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 163.58 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.717 HG21 ' HG2' ' A' ' 11' ' ' LYS . 67.5 t -145.45 136.72 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.71 157.33 46.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -103.5 137.23 41.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.31 -157.48 15.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -114.75 117.35 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.14 147.52 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 -28.04 66.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.99 75.39 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.32 -38.59 60.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.7 t -146.11 151.71 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 m -122.36 100.49 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.99 140.7 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -122.73 133.43 54.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.95 149.09 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 142.0 33.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -55.9 -32.37 63.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.4 -50.52 63.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -54.24 -53.44 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -61.71 -25.14 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.74 -55.27 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.92 -31.75 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -76.55 -60.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 -24.65 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.64 8.09 70.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.93 56.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -59.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 72' ' ' ALA . 2.8 mt -92.4 169.71 10.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -128.28 154.5 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.48 -46.4 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.14 -38.38 66.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.63 -55.65 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.92 68.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.95 -50.79 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -59.79 -40.87 89.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.52 -37.92 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.37 33.97 4.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -76.85 -30.36 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.6 156.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -121.41 149.04 43.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.35 147.69 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.43 123.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.26 -112.74 2.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 m-20 -102.1 73.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.9 -36.96 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.99 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -53.87 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.695 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.75 -28.86 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.61 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -62.83 -48.27 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.42 -53.95 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.34 -34.98 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -62.41 -39.49 93.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -67.49 -12.97 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.72 HG23 ' CB ' ' A' ' 74' ' ' SER . 4.0 mm -84.89 -55.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -57.78 -33.06 44.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -47.91 -47.2 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -65.27 -32.04 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 7' ' ' ILE . 96.6 mt -70.08 -56.19 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.565 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.31 -45.73 90.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.7 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -38.35 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 10' ' ' ILE . 26.3 t -54.85 -36.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.86 65.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.91 -148.37 13.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.02 146.68 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -122.36 148.45 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -112.44 103.31 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.68 148.29 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.98 124.52 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -96.31 105.71 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 39' ' ' VAL . 9.7 mtpt -72.56 99.17 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' HD22 ' A' ' 67' ' ' LEU . 7.7 t -110.83 164.67 12.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -24.52 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -14.71 45.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 35' ' ' THR . . . 153.04 -127.31 2.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 34' ' ' LYS . 22.6 t -146.57 114.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.91 111.39 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.73 145.0 27.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -141.76 147.59 37.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.1 134.08 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.7 135.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.98 123.11 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.8 mp -74.89 -52.0 12.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -41.73 -66.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -91.81 -169.66 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.6 mm? -119.76 67.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 166.52 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.4 t -146.19 140.0 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.34 158.77 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -104.62 140.7 37.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.96 -158.96 14.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.5 117.67 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.73 146.72 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.89 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.14 76.2 0.73 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 158.38 57.13 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.58 -36.66 60.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.3 t -145.56 151.17 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -122.69 113.75 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -114.2 140.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -124.08 113.54 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.2 p -118.61 149.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.58 148.78 51.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.564 HD22 ' OG1' ' A' ' 35' ' ' THR . 6.9 tp -66.11 -48.62 70.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.94 -43.22 83.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.74 -31.12 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -24.88 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.22 -50.5 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.85 -34.75 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.07 -59.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.72 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -55.74 -24.17 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.1 11.03 63.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 63.23 56.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.51 -58.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.3 mt -91.39 169.95 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -129.4 159.77 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.95 -47.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.18 55.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.565 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.28 -56.83 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.25 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.7 -39.02 84.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -33.46 74.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.29 -40.68 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.22 25.92 7.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.73 -33.31 58.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.635 HG22 HG22 ' A' ' 63' ' ' VAL . 1.8 mt -95.94 114.61 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.24 149.24 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 155.54 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -173.12 157.57 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.89 -104.83 3.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.09 75.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.08 -36.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -47.21 68.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -56.31 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.34 -36.03 60.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.51 -42.17 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -64.63 -44.84 89.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.49 92.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.552 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.957 0.408 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.47 -32.55 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -40.39 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 2' ' ' SER . 56.6 p -66.05 -13.74 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.13 -54.54 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.731 HD13 HD12 ' A' ' 10' ' ' ILE . 16.9 mm -66.09 -28.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.18 -35.9 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -74.43 -34.76 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 HD13 ' A' ' 7' ' ' ILE . 50.3 mt -66.75 -51.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.9 mtmt -63.76 -48.75 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.63 60.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -40.64 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -51.59 -39.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.97 -16.71 68.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.752 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.2 -139.94 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.09 147.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -127.75 143.04 51.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -104.35 102.1 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.626 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.8 mt -88.43 143.71 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.603 HD21 HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -140.46 125.07 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 39' ' ' VAL . 13.3 mm -89.12 149.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 19.3 ttpt -118.2 99.37 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -127.53 166.04 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.32 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -18.83 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.88 -129.51 3.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 33' ' ' ILE . 13.4 t -144.57 116.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.0 114.21 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -86.28 143.57 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -142.21 146.77 35.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -116.06 130.27 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -130.83 138.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -114.12 140.26 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.11 -43.53 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.752 ' HD3' HD12 ' A' ' 26' ' ' LEU . 8.0 mtmt -44.46 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -104.11 -168.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.679 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.75 76.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 161.31 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.3 t -145.37 138.28 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.07 159.92 39.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -107.87 138.16 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.67 -154.65 16.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.2 t -110.79 121.58 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.58 146.85 34.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.98 -26.97 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.23 76.17 0.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.07 51.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 -38.08 27.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 97' ' ' LEU . 21.9 t -145.2 151.37 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.603 HG22 HD21 ' A' ' 32' ' ' ASN . 1.7 m -115.79 105.27 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.5 p -100.68 144.68 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -123.15 132.3 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.03 151.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -78.06 155.07 41.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.07 -35.11 80.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -42.1 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.45 -53.75 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mtp -59.53 -38.5 81.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.54 -47.52 57.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -31.1 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.8 mt -77.53 -62.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 p -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 2.94 74.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.6 tttt 64.28 56.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -132.46 -60.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.2 169.89 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.8 p -125.31 156.27 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.25 -46.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.31 -43.51 64.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.612 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.98 -54.92 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 88' ' ' LYS . . . -58.31 -33.43 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.66 -49.24 60.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -39.69 89.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -74.73 -39.77 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.71 35.64 3.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -76.81 -33.32 57.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 HG22 ' A' ' 63' ' ' VAL . 1.3 mm -101.23 156.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.76 143.55 41.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.93 153.02 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -174.9 126.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.98 -14.38 26.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER 177.96 102.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.68 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -56.14 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -56.7 -56.38 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -56.39 -29.36 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.15 67.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -60.92 -35.25 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.51 -33.62 54.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.662 HG11 ' OE2' ' A' ' 40' ' ' GLU . 53.4 t -63.3 -36.94 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.52 -36.87 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -68.6 -13.34 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.63 -55.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.57 HD13 HD12 ' A' ' 10' ' ' ILE . 36.8 mm -62.09 -40.14 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.14 -45.4 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.59 84.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 14' ' ' VAL . 98.2 mt -65.77 -53.12 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -64.8 -40.85 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.2 72.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -80.67 -53.85 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 10' ' ' ILE . 10.4 m -48.53 -45.83 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -59.45 -20.04 49.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.112 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 163.12 -137.73 4.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.74 148.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.07 150.8 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -111.4 102.88 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.682 HD22 ' CE ' ' A' ' 70' ' ' MET . 4.8 mt -89.12 148.43 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.07 122.92 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.3 mm -98.19 115.07 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' ' 39' ' ' VAL . 6.3 ptmt -72.28 130.75 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 67' ' ' LEU . 19.4 p -135.51 171.46 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.5 -11.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.5 p -105.82 -19.59 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.46 -134.54 3.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.3 t -145.82 117.21 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.662 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.7 mt-10 -81.8 111.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -85.34 147.93 26.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.419 ' CE2' HG13 ' A' ' 7' ' ' ILE . 82.4 m95 -145.08 145.01 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.45 131.7 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.63 140.06 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -113.75 140.03 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -90.49 -45.43 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -43.79 -64.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.97 -168.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -115.61 69.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 164.94 19.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 11' ' ' LYS . 48.3 t -147.15 140.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.21 158.29 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -104.94 139.6 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.82 -158.54 14.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.89 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.03 147.64 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -26.46 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -170.07 76.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.51 56.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD2' HD13 ' A' ' 97' ' ' LEU . 3.1 t0 -73.92 -41.44 62.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -147.75 138.85 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.8 m -101.64 107.66 18.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 89' ' ' ILE . 1.6 p -103.84 143.53 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.3 m -123.2 131.52 53.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 70' ' ' MET . 7.3 p -149.3 150.99 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.46 168.71 53.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.23 -58.52 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -53.15 -52.21 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.87 -53.6 46.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.682 ' CE ' HD22 ' A' ' 31' ' ' LEU . 3.7 tpp -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.2 tm? -61.26 -50.35 73.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -60.46 -31.72 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.7 mt -77.69 -63.59 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -31.01 62.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.71 1.17 63.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt 65.34 56.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -132.18 -60.05 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.48 169.61 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -121.79 155.19 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.72 -48.36 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.93 -40.23 49.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.687 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.4 -56.93 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.7 72.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.518 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -67.41 -42.61 82.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -65.14 -36.9 85.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.1 -40.29 60.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.38 3.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -91.03 -33.26 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 63' ' ' VAL . 1.7 mt -99.24 113.25 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 149.49 21.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.33 170.77 7.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.529 ' O ' HG13 ' A' ' 61' ' ' VAL . 46.9 t -172.88 149.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.02 -118.86 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.68 67.69 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.72 -36.64 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.46 62.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -59.57 -49.07 79.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -64.9 -27.92 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.46 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -40.84 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 mt -77.5 -55.94 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.518 ' HB1' ' HG ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.12 -32.48 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.89 -39.65 94.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 2' ' ' SER . 54.7 p -66.9 -12.93 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 70' ' ' MET . 3.9 mm -84.66 -55.63 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.674 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -54.78 -38.74 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.44 -47.32 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -32.08 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.7 mt -69.51 -55.94 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.585 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -63.7 -46.29 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.82 61.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -79.79 -42.35 24.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 49' ' ' LEU . 28.5 t -52.14 -38.84 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.99 -19.01 78.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.888 0.375 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.431 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 160.62 -136.61 4.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.72 148.88 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE2' HD23 ' A' ' 97' ' ' LEU . 9.0 m-85 -132.5 141.27 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -107.45 100.29 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE ' ' A' ' 70' ' ' MET . 2.3 pp -94.75 147.5 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -131.28 126.85 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.537 HG22 ' HB3' ' A' ' 67' ' ' LEU . 7.9 mm -87.58 105.77 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.05 100.93 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 5.2 t -123.1 161.96 23.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.79 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m -74.07 -19.81 60.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.49 -126.45 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -148.92 114.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.42 111.14 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.02 134.84 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' HG13 ' A' ' 7' ' ' ILE . 73.3 m95 -131.39 148.67 52.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -109.95 131.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -133.27 137.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -111.88 142.93 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -95.62 -44.49 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -43.58 -64.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -104.91 -169.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.757 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.88 71.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 164.76 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 11' ' ' LYS . 39.7 t -147.5 141.55 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.22 159.24 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -106.6 141.82 37.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.98 -154.83 16.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.93 121.94 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.04 146.93 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.77 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -171.44 76.56 0.52 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.23 61.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.29 -42.89 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 97' ' ' LEU . 3.6 t -147.42 152.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -112.71 112.98 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.15 147.7 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -123.27 135.49 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.92 149.89 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.82 146.8 37.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -59.68 -32.23 70.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.08 -55.1 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -53.03 -54.2 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 6' ' ' ILE . 2.3 mmt -50.64 -34.53 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 71' ' ' LEU . 8.8 tt -68.96 -40.76 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.61 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -67.99 -42.73 80.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 mt -74.93 -63.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 6' ' ' ILE . 2.8 p -56.17 -26.71 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.66 5.97 67.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 64.32 56.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.0 -59.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -91.61 169.8 10.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p -121.88 155.55 35.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.6 t -51.23 -45.5 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.02 -43.24 83.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.665 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.4 -54.35 41.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -58.37 -33.93 70.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.4 -49.48 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.62 -40.95 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.65 -37.64 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.03 28.97 7.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -76.93 -32.74 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.415 HG13 ' HB1' ' A' ' 83' ' ' ALA . 9.2 mt -106.01 113.56 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -92.57 146.13 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.004 HD22 ' HB1' ' A' ' 98' ' ' ALA . 11.0 mt -119.31 141.08 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -160.6 140.66 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.17 143.17 3.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.464 ' CB ' HG22 ' A' ' 61' ' ' VAL . 1.1 t0 42.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.18 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -56.59 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -58.24 -49.75 76.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 1.004 ' HB1' HD22 ' A' ' 91' ' ' LEU . . . -56.57 -28.66 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.5 74.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.99 -44.25 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 29' ' ' PHE . 48.2 mt -54.88 -44.71 74.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.89 -35.34 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -38.54 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 m -66.89 -13.25 61.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 71' ' ' LEU . 4.0 mm -84.4 -55.11 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 10' ' ' ILE . 32.8 mm -66.67 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -42.45 22.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.72 -37.64 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.8 mt -64.23 -52.94 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.71 -41.47 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.03 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.26 -54.79 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.0 m -46.75 -45.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -50.4 -28.54 14.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.1 pp . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.73 -159.45 30.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.13 150.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.91 153.01 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -117.98 105.19 11.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.688 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.9 mt -92.87 147.82 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.51 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -142.34 130.94 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.658 HG21 HD23 ' A' ' 67' ' ' LEU . 10.1 mm -92.45 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.5 107.66 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 38' ' ' GLY . 8.9 t -133.83 166.85 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.51 -23.87 65.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -19.3 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.515 ' H ' HG23 ' A' ' 35' ' ' THR . . . 151.23 -126.61 2.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 33' ' ' ILE . 21.0 t -147.62 115.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 112.02 17.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -89.87 137.94 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 80.0 m95 -136.72 138.8 41.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -104.76 130.52 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.72 139.05 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.39 125.92 53.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.6 mp -75.77 -49.69 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD12 ' A' ' 26' ' ' LEU . 12.8 mtmt -40.76 -64.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -101.96 -178.26 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 49' ' ' LEU . 1.8 mm? -107.75 64.73 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 162.39 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 11' ' ' LYS . 40.8 t -145.59 136.95 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.01 157.84 44.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -104.13 137.52 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.21 -156.34 15.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.97 118.38 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.68 147.47 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -27.17 66.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.33 74.9 0.85 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.717 0.77 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.69 158.7 56.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.396 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.42 -37.24 52.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 98' ' ' ALA . 10.7 t -143.39 151.11 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 HD21 ' A' ' 32' ' ' ASN . 2.3 m -123.48 103.66 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.688 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.1 p -101.86 144.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.79 125.48 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' A' ' 89' ' ' ILE . 3.6 m -143.81 169.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.36 172.99 33.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.658 HD23 HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -65.25 -47.58 76.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.949 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -57.48 12.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.41 -53.6 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.417 ' HG3' HG21 ' A' ' 6' ' ' ILE . 3.9 tpt -57.34 -26.08 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' A' ' 6' ' ' ILE . 6.6 tt -73.03 -42.41 63.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.612 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.56 -37.1 84.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.38 -62.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.449 ' HB3' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -55.71 -33.17 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.44 -1.33 70.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 56.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.66 -61.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.47 170.02 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.9 p -118.32 154.75 31.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.784 HG21 ' HG ' ' A' ' 101' ' ' LEU . 72.0 t -49.84 -47.37 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.0 -43.53 61.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.745 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.8 -56.13 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -57.22 -34.18 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.31 -44.51 79.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -61.86 -34.61 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.15 -42.05 66.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.41 20.58 13.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -78.16 -33.47 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.694 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.2 mt -86.91 145.46 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -120.55 147.5 45.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.72 145.68 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.58 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.76 -104.77 0.64 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.75 78.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.51 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -58.94 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.825 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.86 -27.65 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.96 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -51.67 -29.18 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.784 ' HG ' HG21 ' A' ' 80' ' ' VAL . 5.5 tp -76.39 -52.31 10.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.58 -37.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -66.45 -13.69 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 10' ' ' ILE . 30.1 mm -62.67 -38.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -46.87 -45.07 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -65.17 -32.86 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.5 mt -69.28 -45.22 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.642 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.2 mtmt -71.32 -41.85 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -80.94 -55.1 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.5 m -46.96 -45.95 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -52.61 -28.55 30.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.675 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -176.69 -147.36 6.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.79 151.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' HD23 ' A' ' 97' ' ' LEU . 7.6 m-85 -138.43 151.07 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -110.33 103.32 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.0 mt -90.14 147.92 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.493 HD21 HG22 ' A' ' 62' ' ' THR . 1.5 m-20 -140.7 126.81 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.8 mm -94.99 109.34 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -71.86 118.0 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.723 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.4 t -135.66 158.22 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.99 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.22 -13.99 48.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.09 -128.5 2.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.26 116.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 111.25 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.88 144.11 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -142.5 147.12 35.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.18 128.83 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.72 141.47 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.67 140.98 49.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -92.77 -40.51 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 26' ' ' LEU . 9.1 mtmt -43.7 -64.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.82 -167.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 14' ' ' VAL . 2.8 mm? -111.07 70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 160.68 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG21 ' HG2' ' A' ' 11' ' ' LYS . 69.2 t -145.49 135.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.46 155.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -103.2 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.11 -158.46 14.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.95 117.83 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.4 147.29 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -25.58 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 t -170.64 75.49 0.58 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.699 0.762 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.52 62.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.55 -44.66 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 97' ' ' LEU . 2.8 t -147.23 152.06 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.493 HG22 HD21 ' A' ' 32' ' ' ASN . 1.8 m -110.09 114.42 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 31' ' ' LEU . 3.6 p -109.06 148.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -122.8 134.18 54.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG21 ' HG2' ' A' ' 70' ' ' MET . 7.4 p -150.34 150.12 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.15 167.13 53.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -65.63 -62.04 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.47 -57.95 8.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.529 ' HG2' HG21 ' A' ' 65' ' ' VAL . 1.2 mmm -62.91 -34.73 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 71' ' ' LEU . 9.4 tt -54.6 -37.52 65.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -73.43 -35.31 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.02 -63.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -30.86 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.09 -1.1 67.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt 64.78 56.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.9 m -131.65 -60.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -86.74 169.51 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 p -118.27 151.94 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -50.84 -36.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.16 94.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.666 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -59.52 -50.55 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -60.58 -33.75 73.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.52 -51.27 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -59.83 -43.54 94.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -71.03 -35.3 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 31.56 7.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.41 -33.35 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 83' ' ' ALA . 8.0 mt -107.83 110.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.67 148.35 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 165.88 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.34 110.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.92 148.55 24.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.414 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER 40.58 82.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.95 71.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.34 -54.68 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.54 -56.64 16.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.08 -28.83 26.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -73.61 -30.54 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -53.06 -51.42 61.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.08 -22.52 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -53.62 -39.3 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -70.79 -13.84 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 74' ' ' SER . 4.0 mm -84.5 -55.23 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 10' ' ' ILE . 34.9 mm -63.38 -32.77 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -47.12 -41.52 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -71.03 -36.04 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.806 HD12 HD13 ' A' ' 7' ' ' ILE . 86.5 mt -65.43 -52.08 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -64.2 -41.21 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.37 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.05 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.44 -51.4 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.8 m -51.4 -43.31 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.38 -8.04 42.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.22 -153.12 22.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.91 149.35 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.91 159.11 33.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -125.11 105.54 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.5 mt -94.92 147.84 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.21 125.71 20.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.8 mm -96.02 98.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.2 tttp -72.18 99.8 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . 16.3 p -108.77 -178.59 3.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.3 -22.6 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -22.34 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.65 -132.43 2.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.2 t -144.56 114.8 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 110.84 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.15 142.62 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -138.98 146.03 40.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.15 134.14 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.46 137.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -111.42 125.35 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 46' ' ' LEU . 7.0 mp -72.91 -51.29 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.12 -66.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.65 ' C ' HD22 ' A' ' 49' ' ' LEU . 29.0 mt-30 -95.75 -167.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.0 mm? -120.97 64.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.48 164.74 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 ' HG2' ' A' ' 11' ' ' LYS . 54.9 t -146.25 129.46 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.81 157.75 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -103.2 135.36 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.87 -159.54 16.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -114.33 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.78 147.15 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.4 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.46 76.03 0.83 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.678 0.751 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.42 53.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -77.05 -35.1 57.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.796 HG11 ' HB2' ' A' ' 98' ' ' ALA . 16.8 t -145.02 151.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -126.99 100.8 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.6 p -100.59 142.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -123.58 127.58 48.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 89' ' ' ILE . 3.0 m -141.25 165.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.65 138.91 14.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -49.61 -31.73 11.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -71.24 -41.23 70.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.66 -55.47 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.92 -33.87 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 71' ' ' LEU . 10.2 tt -53.09 -40.7 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -71.63 -31.36 66.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.24 -61.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.412 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.51 3.43 73.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 63.82 56.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.8 m -138.34 -58.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.8 mt -88.62 169.87 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -129.12 153.91 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -50.78 -47.29 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.83 61.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.504 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -64.46 -56.86 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.88 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.6 -50.43 44.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.33 -40.42 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.57 -39.21 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.97 27.5 8.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -76.8 -31.37 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.727 ' HA ' HG12 ' A' ' 65' ' ' VAL . 12.4 mt -86.47 126.85 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -92.79 147.89 22.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.03 143.89 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -173.25 137.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.01 -104.93 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.22 78.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -37.28 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -47.18 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -52.79 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.796 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.14 -28.98 28.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.35 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -42.68 66.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.54 -38.71 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.734 ' O ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.912 0.387 . . . . 0.0 110.82 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.507 HG22 HG21 ' A' ' 33' ' ' ILE . 75.4 t -71.3 -29.14 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.75 -44.66 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 2' ' ' SER . 3.9 t -62.93 -14.08 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.596 HD13 HG23 ' A' ' 5' ' ' THR . 4.3 mm -83.37 -52.95 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.476 HG22 ' HG3' ' A' ' 11' ' ' LYS . 25.8 mm -73.91 -34.11 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -46.16 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -68.75 -32.28 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.3 mt -68.14 -55.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.97 -49.2 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.44 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -80.88 -44.07 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ILE . 74.5 t -47.96 -42.43 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.9 -28.22 39.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.369 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.89 -141.41 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.85 145.67 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 22.6 m-85 -124.74 158.94 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -118.88 100.23 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.7 mt -85.75 147.36 26.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.69 128.78 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.593 HG21 HD23 ' A' ' 67' ' ' LEU . 4.5 mm -94.43 161.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 12.5 tttt -117.64 106.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.9 t -131.62 169.44 16.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.81 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -17.71 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 35' ' ' THR . . . 148.98 -125.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.8 t -146.98 114.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' HG21 ' A' ' 3' ' ' VAL . 8.1 mp0 -77.97 111.77 14.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.13 134.8 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -132.34 148.07 52.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 mt -112.81 129.78 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 29' ' ' PHE . 2.3 p -131.84 139.63 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -113.45 142.91 45.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -96.18 -43.17 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.3 mtmt -44.44 -64.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -105.07 -167.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -113.0 76.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.58 34.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 11' ' ' LYS . 24.8 t -147.84 142.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.72 160.81 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -106.53 140.68 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.42 -155.74 16.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.8 t -111.14 120.66 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.04 143.9 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.15 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -172.15 78.99 0.47 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.9 48.01 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -85.53 -36.58 20.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 98' ' ' ALA . 36.8 t -147.87 139.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 m -107.67 126.44 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.661 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -122.2 144.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.96 131.99 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.4 p -149.99 150.58 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -88.0 169.87 38.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -65.35 -54.26 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.925 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.24 -51.76 31.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.01 -54.03 41.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.52 -24.5 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' O ' HD13 ' A' ' 71' ' ' LEU . 0.9 OUTLIER -61.03 -51.44 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -59.37 -29.39 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -79.65 -63.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -56.33 -29.47 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.13 -0.86 66.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 64.75 56.83 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.5 m -133.67 -59.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -89.19 169.66 11.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -118.29 149.7 40.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.6 -42.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.85 95.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.646 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.01 -53.11 59.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.94 69.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 102' ' ' ALA . 8.1 tp -68.64 -45.7 71.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -62.05 -37.85 86.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.22 -41.89 73.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.77 26.97 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.77 -33.39 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 63' ' ' VAL . 1.9 mt -99.8 115.37 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -92.03 148.62 22.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 98' ' ' ALA . 7.0 mt -111.87 171.37 7.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -172.53 133.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.03 -117.71 5.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 67.48 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.326 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.44 -37.14 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -51.52 -48.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -54.87 -59.65 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -59.03 -28.98 66.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -57.99 -39.83 79.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -63.27 -32.04 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -46.56 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.671 HG11 ' OE1' ' A' ' 40' ' ' GLU . 52.9 t -52.57 -37.99 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.74 -38.86 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 m -67.47 -13.4 62.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mm -84.72 -55.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 HD12 ' A' ' 10' ' ' ILE . 33.6 mm -64.81 -35.99 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.47 -46.12 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.44 -32.88 73.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.6 mt -68.43 -56.02 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.4 -44.66 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -41.89 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -31.36 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -64.68 -37.09 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.01 -7.31 81.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' LYS . . . -171.69 -142.33 3.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -146.29 149.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HE2' HD23 ' A' ' 97' ' ' LEU . 6.3 m-85 -134.26 144.57 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -108.86 101.84 10.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -98.1 142.36 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.04 125.32 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 mm -84.13 152.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -118.26 99.13 6.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 67' ' ' LEU . 11.2 p -109.63 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -20.52 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.36 -129.29 2.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' ILE . 18.1 t -144.7 118.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.671 ' OE1' HG11 ' A' ' 3' ' ' VAL . 8.0 mt-10 -91.92 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -85.48 142.57 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.9 m95 -139.83 147.42 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -112.97 129.0 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.48 139.59 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.99 141.23 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 -40.4 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.66 ' HD3' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -44.7 -63.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -110.19 -175.67 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -102.91 76.43 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.92 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.7 t -145.7 141.74 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -106.87 144.0 34.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.24 -157.03 15.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.5 p -112.52 118.46 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.7 148.52 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.8 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -167.8 74.45 0.93 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.34 57.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.35 -42.7 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 97' ' ' LEU . 8.7 t -147.99 152.25 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 m -111.58 111.67 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -108.51 146.21 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -123.9 140.5 52.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.7 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -145.61 169.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.12 149.78 20.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 35' ' ' THR . 7.4 tp -58.13 -42.27 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.32 -40.44 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.41 -58.42 6.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -24.41 39.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -48.2 65.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.703 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.98 -39.61 95.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -74.83 -63.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -56.29 -25.84 49.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.65 4.41 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 64.24 56.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.72 -58.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.49 169.92 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.8 p -127.12 156.51 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.9 t -51.14 -47.15 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.88 -44.09 61.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.2 -55.15 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -33.49 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.14 -49.06 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.91 -39.88 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.97 30.7 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.82 -33.48 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.303 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.7 HG23 ' CG1' ' A' ' 65' ' ' VAL . 11.1 mt -96.53 119.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -95.92 147.56 23.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.16 159.46 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.23 111.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.3 146.03 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.496 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER 42.29 86.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.26 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -56.41 5.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -53.83 -53.51 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 -30.3 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.84 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.4 -51.26 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 tp -56.75 -28.93 62.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.765 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.727 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.739 HG21 ' OE2' ' A' ' 40' ' ' GLU . 69.3 t -49.39 -29.57 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -65.88 -11.88 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.5 HG23 ' CB ' ' A' ' 74' ' ' SER . 5.1 mm -83.34 -55.17 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.623 HG23 HG11 ' A' ' 51' ' ' VAL . 30.6 mm -59.99 -42.63 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -47.46 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -33.05 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 14' ' ' VAL . 95.7 mt -70.56 -43.71 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.6 mtmt -71.75 -42.11 67.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.59 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -80.83 -55.27 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 10' ' ' ILE . 8.5 m -46.65 -46.31 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.73 -29.23 25.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.6 pt? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.81 0.338 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.54 -135.03 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.1 150.46 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.13 153.99 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -120.08 101.89 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.3 pp -98.32 145.01 27.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -126.43 128.96 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 31' ' ' LEU . 8.7 mm -94.46 107.15 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -74.41 99.14 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.805 HG22 HD13 ' A' ' 67' ' ' LEU . 13.2 p -101.15 169.67 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.44 -4.42 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -112.0 -18.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.86 -134.19 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -146.19 114.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.739 ' OE2' HG21 ' A' ' 3' ' ' VAL . 3.8 mt-10 -89.18 111.77 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.69 142.03 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -138.82 144.86 39.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.4 mt -107.65 137.76 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.84 138.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.98 138.34 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -45.39 10.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.2 mttt -44.31 -64.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.65 -168.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.88 69.73 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 166.08 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 11' ' ' LYS . 77.3 t -144.84 137.72 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.1 157.48 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -104.31 139.99 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.15 -159.21 14.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.05 116.46 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.47 147.63 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -28.98 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.63 75.89 0.95 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.21 61.2 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.06 -42.61 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 92' ' ' SER . 19.2 t -148.25 144.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.3 m -110.3 113.59 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 89' ' ' ILE . 2.1 p -110.23 143.99 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.44 134.29 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.5 p -144.97 149.13 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 151.32 42.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.805 HD13 HG22 ' A' ' 35' ' ' THR . 7.1 tp -66.16 -43.67 86.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.03 -45.65 66.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.06 -56.08 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 tpp -55.14 -37.7 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -54.35 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.946 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.93 -32.41 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -75.85 -62.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.5 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -56.64 -22.06 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.74 9.38 65.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.83 56.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -57.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.946 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.6 mt -87.46 169.41 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.83 157.06 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -55.06 -30.36 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.9 -46.54 81.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -58.33 -46.43 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -66.12 -34.68 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -70.67 -50.49 36.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -44.05 92.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.75 -39.0 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 31.36 5.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.87 -33.28 57.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' VAL . 1.2 mt -99.12 119.18 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -92.3 149.27 21.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 163.58 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.8 t -173.09 159.78 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.2 -115.12 5.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -90.35 69.61 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.806 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -36.56 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -52.17 -47.54 65.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CB ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -59.49 -53.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -29.83 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.64 -30.71 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -28.55 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.2 -55.65 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.455 ' HB1' ' HG ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.33 -32.75 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.19 -40.28 97.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -66.17 -13.39 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.7 mm -84.7 -54.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 10' ' ' ILE . 22.6 mm -68.96 -31.44 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -45.21 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -63.23 -34.99 78.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.862 ' O ' HG22 ' A' ' 14' ' ' VAL . 45.0 mt -66.98 -50.31 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -63.35 -42.86 98.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.16 75.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -78.26 -56.55 4.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.5 m -52.92 -45.62 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.19 -12.08 79.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.832 0.349 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.57 -148.57 19.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 t -143.41 149.04 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.74 157.17 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -125.18 105.44 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.733 HD23 ' CG1' ' A' ' 63' ' ' VAL . 11.7 mt -94.01 148.35 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.557 HD21 HG22 ' A' ' 62' ' ' THR . 2.4 m-20 -139.96 126.24 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.612 HG22 ' HB3' ' A' ' 67' ' ' LEU . 3.9 mm -95.5 100.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -72.58 100.08 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . 15.0 p -109.99 -179.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.1 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -21.62 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.26 -133.89 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.8 t -144.5 114.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -84.7 110.62 18.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.73 141.71 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -138.03 146.79 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.66 134.99 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -137.46 134.67 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -105.4 128.4 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 46' ' ' LEU . 7.7 mp -73.9 -56.38 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -41.89 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -89.76 174.47 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.6 mm? -107.37 67.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.39 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 11' ' ' LYS . 55.3 t -145.3 134.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.53 157.12 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.94 135.79 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 -159.46 15.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.42 117.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -53.0 147.94 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.86 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.51 74.57 1.15 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.7 52.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -75.46 -35.75 60.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.804 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.3 t -145.59 151.38 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.557 HG22 HD21 ' A' ' 32' ' ' ASN . 1.9 m -126.48 105.67 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.733 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -106.24 139.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -124.82 114.29 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 89' ' ' ILE . 4.1 t -128.38 160.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -76.46 148.14 35.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -65.35 -33.87 76.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.13 -55.0 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.43 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 1.2 t0 -52.56 -53.59 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 11.2 tpp -59.3 -30.95 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.9 -55.82 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -55.18 -29.4 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.0 mt -76.89 -59.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.704 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -56.08 -24.47 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.81 5.64 74.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.04 56.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -139.44 -58.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.91 169.82 10.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -127.91 160.32 32.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -54.29 -47.34 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.68 -42.69 59.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.25 -55.46 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -58.26 -34.33 70.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -67.72 -40.79 84.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -64.97 -32.45 74.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.92 -43.02 72.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.42 20.1 12.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -76.81 -33.7 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.3 mp -80.3 113.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -92.13 145.63 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.44 148.8 32.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.09 119.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.31 -104.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.94 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.95 -37.15 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -46.82 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -53.08 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.804 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.76 -29.69 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.27 88.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.88 70.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.48 -44.99 56.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.803 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.724 ' O ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.751 HG21 ' OE1' ' A' ' 40' ' ' GLU . 69.7 t -49.45 -29.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -42.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -66.12 -11.66 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 5' ' ' THR . 5.2 mm -83.52 -55.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' ILE . 27.6 mm -56.15 -43.0 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -47.35 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -33.25 75.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.867 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.7 mt -69.19 -53.55 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.72 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.8 mtmt -62.21 -49.5 75.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.23 -33.95 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -78.9 -46.49 18.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 10' ' ' ILE . 39.9 t -49.56 -45.02 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.16 -21.48 61.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.13 -138.54 3.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -144.96 151.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CE1' HD23 ' A' ' 97' ' ' LEU . 11.5 m-85 -134.54 144.8 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -112.42 101.88 10.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.69 147.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' HB2' HG23 ' A' ' 64' ' ' THR . 4.6 m-20 -129.87 130.24 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.586 HG22 ' HB3' ' A' ' 67' ' ' LEU . 6.3 mm -92.93 102.86 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 103.09 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.0 t -122.66 166.97 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.02 73.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -72.91 -17.84 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.95 -126.15 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.93 114.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.751 ' OE1' HG21 ' A' ' 3' ' ' VAL . 2.3 mt-10 -89.33 111.05 21.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.41 134.78 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 78.5 m95 -131.86 146.9 52.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.2 mt -109.84 131.55 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.13 139.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.68 140.4 49.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.08 -44.17 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -63.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -107.12 -175.97 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.735 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -106.6 74.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 162.13 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 11' ' ' LYS . 63.6 t -145.23 139.9 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.73 38.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -108.94 141.47 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.94 -153.71 17.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.03 121.46 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 4.9 t80 -57.34 149.11 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.23 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -169.19 74.67 0.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.674 0.75 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.1 Cg_endo -69.78 155.32 66.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.46 -43.71 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.73 149.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -112.04 99.21 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.82 147.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -124.1 136.32 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 89' ' ' ILE . 3.9 p -151.7 149.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.43 149.95 47.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -65.35 -34.0 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.35 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.45 -49.94 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.491 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.61 -41.6 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.93 -40.55 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -44.35 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.2 mt -74.67 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 t -55.76 -24.51 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 9.95 65.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 63.31 56.57 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.56 -59.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.7 mt -94.62 169.95 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.8 p -124.01 149.39 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.14 -43.3 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.07 92.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -64.89 -53.93 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.75 -34.07 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -67.62 -46.51 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -61.5 -38.77 88.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -72.47 -40.17 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.83 9.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -76.81 -32.48 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.509 HD13 HG23 ' A' ' 65' ' ' VAL . 8.3 mm -83.08 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -109.07 149.81 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.75 172.08 7.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.3 -164.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.98 -171.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 43.4 68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.65 -38.01 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -52.5 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -59.0 -58.23 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.25 -41.1 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -28.11 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.3 -38.06 43.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.796 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.61 -37.39 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.79 95.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -65.83 -14.48 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.635 HG23 ' OG ' ' A' ' 74' ' ' SER . 3.8 mm -84.38 -54.17 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 10' ' ' ILE . 23.8 mm -72.86 -31.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.19 -43.98 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -65.06 -33.98 77.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.847 ' O ' HG22 ' A' ' 14' ' ' VAL . 74.4 mt -66.8 -49.24 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 1.5 mtmt -63.4 -42.44 98.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.27 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -79.72 -55.19 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 10' ' ' ILE . 6.7 m -52.07 -44.99 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.73 -13.09 68.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.62 -153.43 25.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 44' ' ' VAL . 4.1 t -144.63 144.52 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 22.9 m-30 -121.28 162.49 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -124.86 100.84 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.8 mm? -84.73 147.85 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.91 124.96 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.0 mm -87.85 149.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 98.99 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.486 ' HB ' HD13 ' A' ' 67' ' ' LEU . 6.3 t -130.49 164.54 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -29.78 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -72.93 -16.95 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.55 -127.83 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 33' ' ' ILE . 17.9 t -149.99 116.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.5 112.29 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.45 139.2 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -137.19 143.03 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.0 135.99 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.5 p -137.23 138.66 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.88 131.13 55.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.733 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 7.0 mp -75.96 -57.23 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.91 -66.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -92.73 174.14 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -107.91 69.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.73 164.9 21.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 11' ' ' LYS . 53.4 t -145.54 131.38 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.76 156.32 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.52 132.9 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.35 -154.71 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.3 p -115.7 121.07 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.34 146.01 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.78 67.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -167.86 75.04 0.92 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.65 52.66 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.11 -28.85 23.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.6 t -146.08 152.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -129.19 109.35 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 31' ' ' LEU . 2.2 p -113.01 144.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -123.48 137.2 54.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.7 p -150.56 150.38 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.35 153.4 52.91 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 35' ' ' THR . 2.5 pt? -65.42 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.58 -43.42 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.6 -57.4 10.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 6' ' ' ILE . 3.9 mmt -58.43 -29.39 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -56.56 -52.54 64.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.03 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.5 mt -76.11 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.635 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.9 p -56.34 -27.6 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.0 3.74 78.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.45 56.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -131.77 -60.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.3 mt -92.32 169.57 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.5 p -122.55 153.88 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -51.78 -41.8 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.29 95.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.64 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.75 -54.12 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -34.02 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 84' ' ' LEU . 8.0 tp -69.02 -49.23 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.19 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.69 -41.01 79.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.54 28.36 7.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.9 -33.53 57.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 65' ' ' VAL . 2.5 mt -92.24 123.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.9 149.16 21.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.87 150.04 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -173.23 138.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.8 -105.14 2.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.07 77.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.97 -38.45 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.1 t0 -56.85 -49.3 75.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -58.55 -58.76 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -57.18 -29.0 63.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.72 -34.77 40.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -29.31 24.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 29' ' ' PHE . 53.1 mt -76.35 -55.28 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.81 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.569 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.535 HG21 ' CD ' ' A' ' 40' ' ' GLU . 75.3 t -67.97 -32.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.32 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 2' ' ' SER . 52.9 p -67.18 -12.75 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.8 mm -85.02 -55.48 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.522 HD13 HD12 ' A' ' 10' ' ' ILE . 25.9 mm -62.4 -33.91 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.59 -46.86 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -35.02 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.818 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.6 mt -67.54 -54.07 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.0 mtmt -62.34 -46.8 87.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.48 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.26 -29.69 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.2 t -66.38 -38.39 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.61 -9.06 82.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.106 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' O ' HD13 ' A' ' 46' ' ' LEU . . . 146.29 129.6 2.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.55 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 t -62.25 148.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.5 149.42 51.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -111.4 101.29 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.5 mm? -84.81 145.74 27.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.1 127.09 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.681 HG21 HD23 ' A' ' 67' ' ' LEU . 4.4 mm -93.68 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -117.61 108.23 15.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.0 t -133.2 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.03 64.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -18.26 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.08 -125.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 33' ' ' ILE . 24.4 t -147.94 114.59 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 3' ' ' VAL . 5.9 mp0 -77.12 111.81 13.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.08 137.8 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -135.04 151.28 50.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.47 131.38 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.51 137.79 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.97 108.23 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 27' ' ' GLY . 9.7 mp -64.58 -55.65 19.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.18 -64.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.561 ' C ' HD22 ' A' ' 49' ' ' LEU . 33.0 mt-30 -88.71 -169.81 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.1 mm? -122.75 75.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 166.5 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.1 t -146.21 139.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.16 159.76 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -105.41 140.71 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.17 -155.91 15.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -112.99 121.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.57 143.88 49.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.64 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 t -170.13 78.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 161.65 45.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' HD13 ' A' ' 97' ' ' LEU . 6.6 t0 -83.66 -33.69 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 98' ' ' ALA . 21.8 t -146.87 151.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 m -121.09 100.48 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.528 ' CG1' HD13 ' A' ' 31' ' ' LEU . 1.9 p -97.66 142.82 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 125.98 46.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 89' ' ' ILE . 2.3 m -142.98 169.19 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.38 172.47 23.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -64.95 -56.09 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.68 -47.56 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -52.8 -56.07 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 6' ' ' ILE . 1.8 mtt -66.02 -24.11 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.44 -43.33 99.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.693 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -68.79 -33.53 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.34 -63.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.615 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.05 -28.75 58.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.07 -0.83 66.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.03 56.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.1 m -135.83 -58.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 72' ' ' ALA . 4.1 mt -88.48 169.92 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.26 157.88 32.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.35 -27.96 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.81 -43.55 58.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.597 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -61.23 -49.46 77.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.47 72.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.36 -49.97 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -60.41 -40.93 92.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -74.41 -35.61 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.26 6.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.65 -32.26 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.625 ' HA ' HG12 ' A' ' 65' ' ' VAL . 5.3 mm -88.37 154.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.4 148.91 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.6 142.02 47.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.8 110.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.78 -104.83 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.58 79.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.7 -37.56 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -48.45 62.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.438 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -69.63 -49.3 55.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.68 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.53 -28.8 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.95 74.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -55.68 -43.8 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -41.14 97.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.4 112.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.33 -36.7 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -61.23 -41.37 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -65.86 -13.65 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.61 -54.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 10' ' ' ILE . 30.2 mm -63.87 -37.62 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.52 -46.16 27.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -63.26 -32.74 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 14' ' ' VAL . 89.4 mt -68.86 -46.82 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.8 -30.15 69.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -81.54 -50.47 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 10' ' ' ILE . 13.3 m -51.84 -43.42 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.37 -7.19 51.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.78 -20.29 7.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' ARG . 2.8 p -75.38 163.52 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.44 159.41 29.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.28 6.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -73.06 -14.07 61.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.57 -67.36 1.81 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.63 3.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.384 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -68.63 164.28 21.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 88.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -151.29 173.15 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? -173.45 121.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 175.89 -139.54 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -147.21 144.79 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -124.87 153.51 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -113.14 104.09 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.711 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.9 mt -90.91 147.55 23.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.405 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -141.98 125.85 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.544 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.9 mm -95.51 109.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 116.82 10.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -134.1 157.17 46.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.28 67.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.0 m -86.62 -14.16 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.85 -128.17 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -152.6 116.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.01 111.15 19.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.66 147.0 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CE2' HG13 ' A' ' 7' ' ' ILE . 76.6 m95 -145.43 147.48 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.67 132.0 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.08 137.19 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.04 138.29 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -89.77 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HD3' HD12 ' A' ' 26' ' ' LEU . 15.1 mttt -44.04 -64.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.651 ' C ' HD22 ' A' ' 49' ' ' LEU . 2.3 mm-40 -101.91 -166.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 48' ' ' GLN . 2.8 mm? -118.22 73.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 166.55 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HG2' ' A' ' 11' ' ' LYS . 74.7 t -145.04 135.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.83 155.82 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.8 140.53 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.93 -160.23 13.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.2 p -113.63 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.18 145.7 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.01 -27.84 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -170.24 77.47 0.62 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.59 59.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.2 m-20 -73.52 -37.86 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.8 t -146.1 151.41 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.405 HG22 HD21 ' A' ' 32' ' ' ASN . 5.2 m -119.64 113.3 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.711 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -111.96 139.11 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 m -124.73 113.98 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 89' ' ' ILE . 3.4 t -128.28 161.32 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -80.42 164.67 47.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.98 -53.33 40.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.84 -50.59 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.63 -56.33 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -54.18 -26.53 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -48.93 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.686 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.22 -39.45 92.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.64 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.491 ' CB ' HG23 ' A' ' 6' ' ' ILE . 2.6 t -55.71 -29.11 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.39 -0.6 72.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.98 56.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.7 m -134.43 -59.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -85.22 169.56 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.7 p -117.41 151.58 36.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -50.47 -41.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.62 -41.55 98.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.681 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -62.62 -53.38 55.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.98 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 tp -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -62.57 -35.81 80.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -69.85 -41.52 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 21.94 11.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -76.75 -33.07 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.734 ' HA ' HG22 ' A' ' 65' ' ' VAL . 16.4 mt -90.69 110.58 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -94.8 142.31 27.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 158.23 18.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -173.91 123.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 -110.97 2.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -99.99 73.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.65 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.53 -47.72 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -66.59 -48.74 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.705 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -58.98 -28.26 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -30.57 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 104' ' ' VAL . 41.6 mt -71.32 -55.43 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -54.8 -30.19 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.82 -28.64 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 101' ' ' LEU . 9.3 p -57.88 -21.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 102' ' ' ALA . 11.2 tp -57.44 -24.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.25 160.2 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -117.51 77.89 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -95.11 172.5 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -51.76 15.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.74 140.25 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.33 125.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.484 HG21 ' OE1' ' A' ' 40' ' ' GLU . 75.0 t -56.02 -28.51 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.546 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.9 m -64.39 -13.68 52.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.68 -54.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.664 HD13 HD12 ' A' ' 10' ' ' ILE . 33.3 mm -68.67 -36.96 76.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.97 -43.68 29.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' NH1' HG22 ' A' ' 5' ' ' THR . 3.0 mpt_? -70.49 -32.7 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 72.8 mt -68.82 -55.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.22 -45.49 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.39 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 17' ' ' VAL . 42.0 mmm-85 -80.31 -40.97 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.721 HG12 ' HB3' ' A' ' 49' ' ' LEU . 24.6 t -50.55 -37.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.21 -24.19 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.98 -30.62 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.8 t -48.91 145.58 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 157.96 56.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.723 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -35.94 11.77 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.382 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -68.55 -24.26 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.35 -165.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.98 37.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.291 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -141.44 146.64 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -66.79 86.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.464 HG11 ' HG3' ' A' ' 100' ' ' LYS . 31.2 m -152.94 173.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -174.52 123.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.43 -135.83 2.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.73 148.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -127.93 150.52 49.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -113.0 103.74 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -91.93 148.29 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.9 125.45 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' CG2' HD23 ' A' ' 67' ' ' LEU . 4.3 mm -95.6 106.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -72.73 110.34 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 67' ' ' LEU . 15.1 t -126.56 170.79 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.12 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -14.32 56.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.41 -125.39 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.53 115.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 4.9 mt-10 -84.08 110.81 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.35 144.54 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -141.55 146.36 36.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.75 129.93 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.28 138.15 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -112.12 139.45 47.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -42.87 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -44.78 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' C ' HD13 ' A' ' 49' ' ' LEU . 28.0 mt-30 -103.5 -167.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.721 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -113.99 71.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 160.79 36.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 11' ' ' LYS . 42.3 t -145.87 141.21 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.71 160.0 40.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -105.03 142.01 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.14 -158.06 14.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.83 118.23 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -54.19 146.93 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.9 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -169.57 76.07 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.45 53.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.56 -36.25 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.8 t -145.82 151.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 m -126.03 109.13 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 89' ' ' ILE . 1.5 p -112.41 144.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -122.98 133.5 54.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.525 ' HB ' HG23 ' A' ' 89' ' ' ILE . 6.9 p -149.74 150.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.15 165.82 54.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -66.47 -52.55 45.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.52 -55.66 10.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -52.29 -53.62 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.71 -39.52 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -50.43 -50.98 50.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -58.82 -33.05 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.2 mt -75.29 -62.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 p -55.87 -30.48 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.29 0.41 74.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 64.1 56.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.14 -60.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -92.09 169.86 10.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.2 p -120.06 153.71 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 m -51.16 -41.6 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.806 ' H ' HD13 ' A' ' 105' ' ' ILE . . . -59.08 -41.86 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.688 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.77 -54.33 40.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.98 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.54 -43.98 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -62.04 -34.09 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.11 -41.11 74.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.61 19.13 21.22 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.68 -33.16 58.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 63' ' ' VAL . 3.8 mt -93.15 122.88 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -92.23 148.76 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.71 149.35 31.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 t -173.32 136.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -109.39 3.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.48 76.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.338 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.09 -36.44 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.17 -47.93 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -54.0 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.779 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.92 -28.86 58.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.95 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.464 ' HG3' HG11 ' A' ' 25' ' ' VAL . 19.5 mmtm -52.81 -42.73 65.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -73.89 -45.09 52.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.08 -28.26 24.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.21 -20.98 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.806 HD13 ' H ' ' A' ' 81' ' ' GLY . 8.1 tp -51.08 -32.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -126.38 69.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -68.48 110.01 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -112.39 161.57 16.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.42 103.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -91.66 118.87 31.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.53 112.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.53 HG22 HG21 ' A' ' 33' ' ' ILE . 81.3 t -50.45 -37.26 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.26 -44.64 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.09 -15.77 57.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 70' ' ' MET . 4.0 mm -83.42 -55.13 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 10' ' ' ILE . 37.4 mm -66.92 -41.38 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -39.9 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -32.72 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.781 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.9 mt -70.19 -55.61 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.01 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -80.79 -31.54 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.8 t -62.91 -38.22 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.41 -6.07 79.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.76 -20.11 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 14' ' ' VAL . 4.7 p -76.45 152.35 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.8 158.96 30.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.07 5.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -79.98 -13.41 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.23 -67.04 1.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -168.88 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.338 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 165.38 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 87.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.0 m -151.78 166.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -175.21 113.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.95 -139.27 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -145.97 148.3 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.83 152.55 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -120.21 104.02 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.48 141.4 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.4 129.41 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 3' ' ' VAL . 9.1 mm -86.77 155.85 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 9.1 ttpt -117.35 106.93 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 38' ' ' GLY . 9.5 t -129.72 168.04 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -22.67 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -16.59 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' H ' HG23 ' A' ' 35' ' ' THR . . . 147.75 -124.17 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.0 t -146.23 117.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 14.8 mt-10 -86.98 112.11 21.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.429 ' NE2' ' HB ' ' A' ' 55' ' ' VAL . 1.3 mt-30 -87.54 141.55 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -138.9 149.73 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -114.59 132.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -132.91 139.39 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.8 142.71 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.35 -42.06 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 26' ' ' LEU . 7.4 mtmt -44.42 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -105.55 -166.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.4 mm? -113.81 75.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 164.02 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.6 t -147.59 141.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.33 159.87 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -106.18 143.09 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.79 -157.78 14.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.0 p -114.0 116.54 52.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.83 148.28 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.84 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.77 74.37 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.44 49.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.35 -39.7 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.6 t -146.05 151.35 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -117.05 100.97 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 89' ' ' ILE . 2.7 p -99.25 145.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -123.08 129.0 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.88 150.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -82.52 172.08 51.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -65.15 -56.76 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.5 -53.21 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.92 -53.54 47.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.438 ' SD ' HG21 ' A' ' 6' ' ' ILE . 3.0 ttt -64.3 -24.44 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.04 -48.04 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.4 -30.69 71.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.8 mt -79.72 -63.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 p -56.77 -31.76 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.9 -0.96 66.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.12 56.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.41 -60.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -88.76 169.29 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.3 p -114.29 149.73 35.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.4 t -49.17 -43.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.95 95.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.721 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.79 -54.29 37.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.833 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.18 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.58 -45.15 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -61.91 -37.49 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.39 -41.92 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.44 33.51 5.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -88.4 -33.09 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.485 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -100.66 112.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.22 148.73 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 163.2 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -173.7 143.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.38 -108.0 3.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 73.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.69 -36.69 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -46.9 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -55.54 16.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.33 -28.58 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -28.99 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.56 -35.35 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -73.03 -31.88 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.63 -28.85 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.25 -20.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 102' ' ' ALA . 11.5 tt -51.4 -30.71 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -127.93 30.3 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -148.79 26.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -53.93 132.88 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.08 26.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 91.28 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.792 0.329 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.22 110.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.648 HG11 ' OE2' ' A' ' 40' ' ' GLU . 55.7 t -51.3 -36.91 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -42.0 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.489 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -64.62 -14.89 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' CD1' HD22 ' A' ' 71' ' ' LEU . 4.3 mm -82.68 -54.31 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 10' ' ' ILE . 36.5 mm -68.14 -39.45 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.89 -45.34 30.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' NH1' HG22 ' A' ' 5' ' ' THR . 18.7 mtt85 -70.68 -31.55 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.8 mt -69.54 -55.84 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.83 -45.42 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.05 -42.25 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -80.55 -34.14 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' HB3' ' A' ' 49' ' ' LEU . 25.6 t -60.69 -34.33 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.92 -5.23 90.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.14 -26.61 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -49.32 148.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 158.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.5 5.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.93 -21.36 64.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.91 164.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -22.15 32.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' HG3' HG11 ' A' ' 104' ' ' VAL . 19.8 mmt180 -142.53 142.0 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 86.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -152.46 170.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -174.23 122.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -177.41 -141.94 4.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -145.63 147.45 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.52 154.55 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -122.2 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.7 pp -102.35 142.98 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -125.85 130.7 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 31' ' ' LEU . 6.7 mm -94.95 105.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -68.92 104.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.089 HG22 HD21 ' A' ' 67' ' ' LEU . 18.0 p -109.78 154.56 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.21 -17.22 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -98.94 -17.1 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.34 -134.47 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.0 t -148.08 116.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.648 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.4 mt-10 -88.48 111.01 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -86.04 142.48 28.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.426 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.5 m95 -138.22 147.7 44.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -113.12 131.8 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.94 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.34 140.62 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -93.9 -42.25 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.2 mtmt -44.16 -64.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -105.62 -168.39 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.18 69.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 161.64 29.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.674 HG21 ' HG2' ' A' ' 11' ' ' LYS . 43.1 t -145.93 140.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.11 159.08 42.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -105.42 142.33 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.85 -157.52 14.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -114.21 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.3 t80 -52.36 148.78 6.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.33 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -166.39 73.85 1.18 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.7 Cg_endo -69.77 159.86 51.82 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -74.9 -39.49 61.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.5 t -146.44 151.68 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -123.27 110.51 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG22 ' A' ' 89' ' ' ILE . 1.5 p -110.92 143.07 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -123.02 130.79 53.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.705 ' CG1' HG23 ' A' ' 89' ' ' ILE . 6.1 m -143.12 165.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.3 161.48 28.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.089 HD21 HG22 ' A' ' 35' ' ' THR . 0.4 OUTLIER -54.22 -61.02 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.972 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.32 -43.26 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.98 -53.89 53.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.56 ' HG2' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.28 -23.96 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.17 -45.85 75.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.599 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -64.93 -41.83 95.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.65 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.54 -28.01 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.05 2.53 69.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 64.91 56.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 m -134.98 -59.58 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.5 169.63 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.9 p -118.8 151.59 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.572 ' HB ' HG21 ' A' ' 105' ' ' ILE . 54.8 t -49.25 -44.54 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.15 -41.61 86.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.698 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.36 -54.78 31.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -58.71 -34.4 71.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.46 -44.96 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -61.51 -34.43 75.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.92 -38.76 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.6 22.99 14.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -78.27 -33.26 49.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.705 HG23 ' CG1' ' A' ' 65' ' ' VAL . 3.3 mt -89.76 117.35 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.97 144.64 25.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 98' ' ' ALA . 5.4 mt -109.16 152.03 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 124.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.22 -114.47 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.84 73.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.76 -36.07 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.78 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -59.17 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.668 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.95 -27.23 29.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -51.71 -29.24 17.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.6 -34.86 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.82 -30.7 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.07 -35.69 59.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 100' ' ' LYS . 28.3 m -74.66 -36.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.572 HG21 ' HB ' ' A' ' 80' ' ' VAL . 10.5 tp -77.85 -16.58 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -91.32 -37.72 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 -171.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -52.49 113.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -138.67 159.41 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -158.09 -51.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.816 0.341 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.595 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -178.55 112.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.655 HG11 ' OE1' ' A' ' 40' ' ' GLU . 5.2 p -67.92 -31.37 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -38.77 90.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 2' ' ' SER . 55.2 p -67.5 -12.22 59.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.28 -55.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 10' ' ' ILE . 29.6 mm -54.78 -43.18 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -47.36 -45.72 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -32.71 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.0 mt -68.9 -56.58 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.651 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.41 -48.96 77.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.87 -33.25 35.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.768 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.6 mmm180 -79.86 -47.7 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.887 HG12 ' HB3' ' A' ' 49' ' ' LEU . 26.1 t -49.53 -42.95 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.75 -26.22 59.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.98 -31.74 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 13' ' ' ARG . 61.5 t -53.26 144.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.72 144.98 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.847 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.79 -12.99 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.54 160.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 74.23 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -148.85 93.26 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.9 85.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.606 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.4 m -153.45 164.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.35 112.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.75 -171.03 28.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -108.81 148.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -127.14 149.27 50.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -118.61 102.86 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -96.49 141.36 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -120.62 128.37 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.455 HG22 ' HG ' ' A' ' 67' ' ' LEU . 9.1 mm -93.63 101.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.12 111.23 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.656 ' HB ' HD21 ' A' ' 67' ' ' LEU . 7.6 t -128.46 163.66 24.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.5 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -82.19 -12.48 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.34 -126.69 2.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.31 114.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.655 ' OE1' HG11 ' A' ' 3' ' ' VAL . 5.1 mt-10 -87.49 109.82 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.18 136.21 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -131.06 145.42 52.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -106.89 134.03 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.49 138.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.98 118.74 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.606 HD23 ' CG2' ' A' ' 25' ' ' VAL . 8.5 mp -71.02 -56.48 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -41.78 -64.63 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.92 179.34 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.887 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.16 66.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 168.51 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.651 HG21 ' HG2' ' A' ' 11' ' ' LYS . 52.9 t -147.53 142.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.58 159.56 41.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.24 141.7 37.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.34 -156.01 15.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.8 120.03 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.33 146.7 23.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.65 -26.87 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 t -170.3 76.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 159.37 53.72 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.94 -37.11 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.1 t -146.27 152.0 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -123.75 106.01 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' HG22 ' A' ' 89' ' ' ILE . 4.1 p -104.91 149.11 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 m -122.28 129.07 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.45 HG13 ' HG3' ' A' ' 70' ' ' MET . 7.5 p -149.71 150.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.03 167.83 52.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -66.59 -51.08 60.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.83 -57.44 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -53.46 -52.04 60.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.85 -29.31 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.75 -42.36 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -65.48 -42.97 91.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.01 -63.57 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.516 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.7 p -56.69 -26.13 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.73 5.18 70.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 tttt 64.11 56.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.23 -59.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -91.23 169.62 10.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.0 p -117.36 150.67 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.83 -42.66 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.574 ' HA3' HG21 ' A' ' 105' ' ' ILE . . . -59.59 -39.45 95.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.88 -54.52 33.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' HB1' ' OD2' ' A' ' 69' ' ' ASP . . . -58.54 -34.14 70.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.9 -44.76 76.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -61.76 -35.94 79.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.28 -41.09 73.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.07 21.45 13.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -76.72 -33.4 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.504 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -96.96 111.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -92.61 144.82 24.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.97 160.31 14.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 143.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.29 -111.35 4.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.6 76.49 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.28 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.23 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -53.04 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.13 -28.43 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.59 88.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -52.75 -39.64 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 104' ' ' VAL . 58.8 mt -62.42 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.21 62.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -52.32 -35.95 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 101' ' ' LEU . 5.3 m -52.79 -28.41 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.574 HG21 ' HA3' ' A' ' 81' ' ' GLY . 42.8 mm -88.85 -49.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -52.32 169.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 m170 61.05 41.03 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -175.29 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.88 162.14 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -163.77 155.39 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HA ' HD11 ' A' ' 71' ' ' LEU . 1.2 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 177.92 126.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -50.51 -30.82 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -41.8 97.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -14.24 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.14 -55.06 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.568 HD13 HD12 ' A' ' 10' ' ' ILE . 36.6 mm -65.95 -38.86 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -35.83 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.43 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 14' ' ' VAL . 97.4 mt -65.01 -51.59 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.717 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.93 71.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.8 mmm180 -80.94 -54.19 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.4 m -46.88 -45.99 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.75 -28.89 24.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.42 -31.95 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 13' ' ' ARG . 52.0 t -53.85 149.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.05 158.0 77.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.569 0.699 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -68.2 -22.77 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.87 165.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HG3' HG22 ' A' ' 104' ' ' VAL . 29.1 mmt-85 -140.63 141.12 35.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.26 86.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -152.14 170.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? -173.93 121.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.12 -136.55 3.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.13 149.74 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.83 156.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -125.34 106.65 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.5 pp -107.25 139.08 42.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.601 ' OD1' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -125.59 130.74 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.7 mm -90.04 98.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.0 mtpt -70.52 99.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.718 ' HA ' HD22 ' A' ' 67' ' ' LEU . 3.6 t -117.47 161.65 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -25.7 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -81.62 -20.62 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.441 ' H ' HG23 ' A' ' 35' ' ' THR . . . 156.31 -130.99 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.1 t -146.47 114.55 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -87.66 111.11 20.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.18 139.91 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HG13 ' A' ' 7' ' ' ILE . 71.6 m95 -138.52 146.83 42.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -112.55 137.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.54 137.73 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.03 139.03 45.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -88.53 -45.26 10.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.6 mttt -44.25 -64.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.48 -167.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.78 69.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 163.58 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.717 HG21 ' HG2' ' A' ' 11' ' ' LYS . 67.5 t -145.45 136.72 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.71 157.33 46.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -103.5 137.23 41.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.31 -157.48 15.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -114.75 117.35 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.14 147.52 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 -28.04 66.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.99 75.39 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.32 -38.59 60.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.7 t -146.11 151.71 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 m -122.36 100.49 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.99 140.7 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -122.73 133.43 54.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.95 149.09 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 142.0 33.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -55.9 -32.37 63.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.4 -50.52 63.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -54.24 -53.44 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -61.71 -25.14 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 1' ' ' MET . 5.0 tt -60.74 -55.27 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.92 -31.75 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -76.55 -60.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 -24.65 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.64 8.09 70.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.93 56.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -59.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 72' ' ' ALA . 2.8 mt -92.4 169.71 10.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -128.28 154.5 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.763 ' HB ' HD13 ' A' ' 105' ' ' ILE . 79.2 t -51.48 -46.4 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.14 -38.38 66.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.63 -55.65 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.92 68.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.95 -50.79 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -59.79 -40.87 89.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.52 -37.92 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.37 33.97 4.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -76.85 -30.36 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.6 156.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -121.41 149.04 43.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.35 147.69 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.43 123.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.26 -112.74 2.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 m-20 -102.1 73.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.9 -36.96 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.99 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -53.87 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.695 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.75 -28.86 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.61 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 104' ' ' VAL . 12.6 mmtm -62.83 -48.27 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.42 -53.95 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -59.78 -44.83 93.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.73 -29.4 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 100' ' ' LYS . 49.1 t -54.75 -26.23 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.763 HD13 ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -57.34 -28.85 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -84.3 -74.75 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.06 135.38 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -175.0 145.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -95.04 134.19 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.53 97.47 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.48 112.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.34 -34.98 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -62.41 -39.49 93.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -67.49 -12.97 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.72 HG23 ' CB ' ' A' ' 74' ' ' SER . 4.0 mm -84.89 -55.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -57.78 -33.06 44.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -47.91 -47.2 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -65.27 -32.04 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 7' ' ' ILE . 96.6 mt -70.08 -56.19 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.565 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.31 -45.73 90.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.7 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -38.35 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 10' ' ' ILE . 26.3 t -54.85 -36.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.86 65.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.79 -29.91 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 14' ' ' VAL . 5.0 p -62.09 151.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.95 160.0 27.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.67 7.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.391 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -82.99 -12.59 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.83 -65.08 2.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.28 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.54 165.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 88.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -150.77 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.09 124.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.91 -148.37 13.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.02 146.68 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -122.36 148.45 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -112.44 103.31 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.68 148.29 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.98 124.52 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -96.31 105.71 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 39' ' ' VAL . 9.7 mtpt -72.56 99.17 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' HD22 ' A' ' 67' ' ' LEU . 7.7 t -110.83 164.67 12.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -24.52 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -14.71 45.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 35' ' ' THR . . . 153.04 -127.31 2.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 34' ' ' LYS . 22.6 t -146.57 114.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.91 111.39 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.73 145.0 27.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -141.76 147.59 37.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.1 134.08 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.7 135.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.98 123.11 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.8 mp -74.89 -52.0 12.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -41.73 -66.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -91.81 -169.66 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.6 mm? -119.76 67.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 166.52 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.4 t -146.19 140.0 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.34 158.77 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -104.62 140.7 37.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.96 -158.96 14.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.5 117.67 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.73 146.72 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.89 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.14 76.2 0.73 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 158.38 57.13 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.58 -36.66 60.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.3 t -145.56 151.17 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -122.69 113.75 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -114.2 140.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -124.08 113.54 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.2 p -118.61 149.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.58 148.78 51.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.564 HD22 ' OG1' ' A' ' 35' ' ' THR . 6.9 tp -66.11 -48.62 70.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.94 -43.22 83.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.74 -31.12 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -24.88 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.22 -50.5 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.85 -34.75 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.07 -59.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.72 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -55.74 -24.17 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.1 11.03 63.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 63.23 56.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.51 -58.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.3 mt -91.39 169.95 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -129.4 159.77 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.75 ' HB ' HG21 ' A' ' 105' ' ' ILE . 69.5 t -53.95 -47.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.18 55.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.565 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.28 -56.83 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.25 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.7 -39.02 84.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -33.46 74.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.29 -40.68 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.22 25.92 7.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.73 -33.31 58.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.635 HG22 HG22 ' A' ' 63' ' ' VAL . 1.8 mt -95.94 114.61 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.24 149.24 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 155.54 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -173.12 157.57 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.89 -104.83 3.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.09 75.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.08 -36.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -47.21 68.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -56.31 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.34 -36.03 60.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.51 -42.17 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -64.63 -44.84 89.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.729 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.25 -43.49 92.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.18 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.49 -33.45 62.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 101' ' ' LEU . 1.5 p -57.17 -20.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.75 HG21 ' HB ' ' A' ' 80' ' ' VAL . 43.4 mm -88.78 -46.9 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 -170.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -51.97 -33.98 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.36 141.19 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -88.99 142.94 27.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.2 m170 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.552 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -176.1 111.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.47 -32.55 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -40.39 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 2' ' ' SER . 56.6 p -66.05 -13.74 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.13 -54.54 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.731 HD13 HD12 ' A' ' 10' ' ' ILE . 16.9 mm -66.09 -28.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.18 -35.9 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -74.43 -34.76 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 HD13 ' A' ' 7' ' ' ILE . 50.3 mt -66.75 -51.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.9 mtmt -63.76 -48.75 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.63 60.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -79.83 -40.64 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -51.59 -39.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.97 -16.71 68.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.76 -30.66 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 13' ' ' ARG . 95.0 t -46.51 146.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.83 157.94 88.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -40.18 5.54 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.31 -20.43 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.14 164.74 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.596 ' HG2' HG21 ' A' ' 104' ' ' VAL . 53.7 Cg_endo -69.76 -16.1 37.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.641 ' CG ' HG23 ' A' ' 104' ' ' VAL . 23.6 mmt180 -142.7 146.01 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -68.22 86.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.4 m -152.27 167.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.752 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -175.37 113.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.2 -139.94 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.09 147.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -127.75 143.04 51.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -104.35 102.1 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.626 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.8 mt -88.43 143.71 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.603 HD21 HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -140.46 125.07 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 39' ' ' VAL . 13.3 mm -89.12 149.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 19.3 ttpt -118.2 99.37 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -127.53 166.04 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.32 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -18.83 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.88 -129.51 3.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 33' ' ' ILE . 13.4 t -144.57 116.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.0 114.21 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -86.28 143.57 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -142.21 146.77 35.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -116.06 130.27 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -130.83 138.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -114.12 140.26 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.11 -43.53 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.752 ' HD3' HD12 ' A' ' 26' ' ' LEU . 8.0 mtmt -44.46 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -104.11 -168.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.679 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.75 76.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 161.31 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.3 t -145.37 138.28 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.07 159.92 39.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -107.87 138.16 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.67 -154.65 16.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.2 t -110.79 121.58 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.58 146.85 34.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.98 -26.97 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.23 76.17 0.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.07 51.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 -38.08 27.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 97' ' ' LEU . 21.9 t -145.2 151.37 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.603 HG22 HD21 ' A' ' 32' ' ' ASN . 1.7 m -115.79 105.27 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.5 p -100.68 144.68 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -123.15 132.3 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.03 151.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -78.06 155.07 41.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.07 -35.11 80.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -42.1 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.45 -53.75 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mtp -59.53 -38.5 81.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.54 -47.52 57.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -31.1 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.8 mt -77.53 -62.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 p -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 2.94 74.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.6 tttt 64.28 56.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -132.46 -60.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.2 169.89 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.8 p -125.31 156.27 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.722 ' HB ' HG21 ' A' ' 105' ' ' ILE . 69.4 t -51.25 -46.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.31 -43.51 64.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.612 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.98 -54.92 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 88' ' ' LYS . . . -58.31 -33.43 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.66 -49.24 60.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -39.69 89.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -74.73 -39.77 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.71 35.64 3.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -76.81 -33.32 57.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 HG22 ' A' ' 63' ' ' VAL . 1.3 mm -101.23 156.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.76 143.55 41.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.93 153.02 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -174.9 126.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.98 -14.38 26.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER 177.96 102.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.68 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -56.14 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -56.7 -56.38 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -56.39 -29.36 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.15 67.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -60.92 -35.25 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.735 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.5 tp -77.51 -33.62 54.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.92 -33.78 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -75.15 -35.43 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 101' ' ' LEU . 2.8 p -57.77 -20.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.722 HG21 ' HB ' ' A' ' 80' ' ' VAL . 24.0 mm -88.35 -29.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 -171.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -53.54 148.57 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -114.88 169.24 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.35 146.77 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 -171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 64.23 108.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.662 HG11 ' OE2' ' A' ' 40' ' ' GLU . 53.4 t -63.3 -36.94 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.52 -36.87 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -68.6 -13.34 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.63 -55.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.57 HD13 HD12 ' A' ' 10' ' ' ILE . 36.8 mm -62.09 -40.14 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.14 -45.4 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.59 84.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 14' ' ' VAL . 98.2 mt -65.77 -53.12 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -64.8 -40.85 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.2 72.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 17' ' ' VAL . 54.6 mmt-85 -80.67 -53.85 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 10' ' ' ILE . 10.4 m -48.53 -45.83 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -59.45 -20.04 49.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.25 -31.64 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 13' ' ' ARG . 98.9 t -49.32 145.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 159.36 1.25 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.06 19.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.07 -23.82 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.15 160.67 24.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.26 14.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.703 ' NH2' HG11 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -149.96 165.32 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -65.93 86.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.82 168.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.03 111.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 163.12 -137.73 4.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.74 148.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.07 150.8 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -111.4 102.88 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.682 HD22 ' CE ' ' A' ' 70' ' ' MET . 4.8 mt -89.12 148.43 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.07 122.92 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.3 mm -98.19 115.07 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' ' 39' ' ' VAL . 6.3 ptmt -72.28 130.75 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 67' ' ' LEU . 19.4 p -135.51 171.46 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.5 -11.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.5 p -105.82 -19.59 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.46 -134.54 3.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.3 t -145.82 117.21 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.662 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.7 mt-10 -81.8 111.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -85.34 147.93 26.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.419 ' CE2' HG13 ' A' ' 7' ' ' ILE . 82.4 m95 -145.08 145.01 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.45 131.7 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.63 140.06 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -113.75 140.03 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -90.49 -45.43 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -43.79 -64.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.97 -168.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -115.61 69.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 164.94 19.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 11' ' ' LYS . 48.3 t -147.15 140.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.21 158.29 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -104.94 139.6 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.82 -158.54 14.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.89 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.03 147.64 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -26.46 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -170.07 76.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.51 56.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD2' HD13 ' A' ' 97' ' ' LEU . 3.1 t0 -73.92 -41.44 62.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -147.75 138.85 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.8 m -101.64 107.66 18.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 89' ' ' ILE . 1.6 p -103.84 143.53 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.3 m -123.2 131.52 53.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 70' ' ' MET . 7.3 p -149.3 150.99 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.46 168.71 53.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.23 -58.52 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -53.15 -52.21 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.87 -53.6 46.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.682 ' CE ' HD22 ' A' ' 31' ' ' LEU . 3.7 tpp -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.2 tm? -61.26 -50.35 73.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -60.46 -31.72 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.7 mt -77.69 -63.59 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -31.01 62.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.71 1.17 63.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt 65.34 56.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -132.18 -60.05 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.48 169.61 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -121.79 155.19 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.72 -48.36 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.93 -40.23 49.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.687 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.4 -56.93 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.7 72.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.518 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -67.41 -42.61 82.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -65.14 -36.9 85.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.1 -40.29 60.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.38 3.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -91.03 -33.26 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 63' ' ' VAL . 1.7 mt -99.24 113.25 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 149.49 21.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.33 170.77 7.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.529 ' O ' HG13 ' A' ' 61' ' ' VAL . 46.9 t -172.88 149.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.02 -118.86 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.68 67.69 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.72 -36.64 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.46 62.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -59.57 -49.07 79.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -64.9 -27.92 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.46 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -40.84 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 104' ' ' VAL . 8.2 mt -77.5 -55.94 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.518 ' HB1' ' HG ' ' A' ' 84' ' ' LEU . . . -51.8 -29.65 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.11 -33.45 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG11 ' NH2' ' A' ' 23' ' ' ARG . 11.2 m -54.59 -23.15 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 84' ' ' LEU . 20.5 tt -50.73 -30.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -161.05 146.9 14.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.99 141.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -98.87 88.46 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 62.93 59.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -52.05 -62.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.4 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -176.97 112.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.12 -32.48 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.89 -39.65 94.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 2' ' ' SER . 54.7 p -66.9 -12.93 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 70' ' ' MET . 3.9 mm -84.66 -55.63 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.674 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -54.78 -38.74 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.44 -47.32 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -32.08 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.7 mt -69.51 -55.94 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.585 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -63.7 -46.29 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.82 61.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.77 ' O ' HG23 ' A' ' 17' ' ' VAL . 9.6 tpt180 -79.79 -42.35 24.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 49' ' ' LEU . 28.5 t -52.14 -38.84 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.99 -19.01 78.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.18 -32.26 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 13' ' ' ARG . 40.2 t -51.75 149.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.74 144.09 27.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.838 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -39.42 6.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -80.42 -12.19 59.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.17 161.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 53.7 Cg_endo -69.74 74.71 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.348 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 2.2 mtt-85 -155.28 90.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.4 85.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -152.65 146.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -168.61 110.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 160.62 -136.61 4.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.72 148.88 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE2' HD23 ' A' ' 97' ' ' LEU . 9.0 m-85 -132.5 141.27 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -107.45 100.29 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE ' ' A' ' 70' ' ' MET . 2.3 pp -94.75 147.5 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -131.28 126.85 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.537 HG22 ' HB3' ' A' ' 67' ' ' LEU . 7.9 mm -87.58 105.77 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.05 100.93 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 5.2 t -123.1 161.96 23.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.79 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m -74.07 -19.81 60.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.49 -126.45 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -148.92 114.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.42 111.14 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -87.02 134.84 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' HG13 ' A' ' 7' ' ' ILE . 73.3 m95 -131.39 148.67 52.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -109.95 131.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -133.27 137.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -111.88 142.93 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -95.62 -44.49 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -43.58 -64.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -104.91 -169.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.757 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.88 71.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 164.76 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 11' ' ' LYS . 39.7 t -147.5 141.55 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.22 159.24 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -106.6 141.82 37.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.98 -154.83 16.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.93 121.94 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.04 146.93 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.77 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -171.44 76.56 0.52 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.23 61.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.29 -42.89 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 97' ' ' LEU . 3.6 t -147.42 152.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -112.71 112.98 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.15 147.7 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -123.27 135.49 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.92 149.89 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.82 146.8 37.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -59.68 -32.23 70.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.08 -55.1 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -53.03 -54.2 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 6' ' ' ILE . 2.3 mmt -50.64 -34.53 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 71' ' ' LEU . 8.8 tt -68.96 -40.76 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.61 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -67.99 -42.73 80.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 mt -74.93 -63.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 6' ' ' ILE . 2.8 p -56.17 -26.71 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.66 5.97 67.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 64.32 56.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.0 -59.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -91.61 169.8 10.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p -121.88 155.55 35.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.6 t -51.23 -45.5 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.02 -43.24 83.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.665 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.4 -54.35 41.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -58.37 -33.93 70.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.4 -49.48 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.62 -40.95 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.65 -37.64 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.03 28.97 7.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -76.93 -32.74 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.415 HG13 ' HB1' ' A' ' 83' ' ' ALA . 9.2 mt -106.01 113.56 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -92.57 146.13 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.004 HD22 ' HB1' ' A' ' 98' ' ' ALA . 11.0 mt -119.31 141.08 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -160.6 140.66 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.17 143.17 3.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' CB ' HG22 ' A' ' 61' ' ' VAL . 1.1 t0 42.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.18 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -56.59 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -58.24 -49.75 76.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 1.004 ' HB1' HD22 ' A' ' 91' ' ' LEU . . . -56.57 -28.66 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.5 74.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.99 -44.25 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 29' ' ' PHE . 48.2 mt -54.88 -44.71 74.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -73.15 -34.64 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -53.39 -28.92 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 t -58.69 -21.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 102' ' ' ALA . 10.6 tp -51.44 -30.13 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 72.25 -69.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.56 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -158.23 96.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 56.77 31.82 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 54.4 88.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.52 111.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.89 -35.34 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -38.54 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 m -66.89 -13.25 61.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 71' ' ' LEU . 4.0 mm -84.4 -55.11 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 10' ' ' ILE . 32.8 mm -66.67 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -42.45 22.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.72 -37.64 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.8 mt -64.23 -52.94 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.71 -41.47 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.03 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.769 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.1 mmm180 -81.26 -54.79 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.0 m -46.75 -45.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -50.4 -28.54 14.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.28 -31.38 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 13' ' ' ARG . 65.1 t -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.71 159.86 28.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.85 6.0 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.61 -14.51 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.38 -66.07 2.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.92 166.04 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 89.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -148.14 172.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.1 pp -172.44 121.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.73 -159.45 30.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.13 150.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.91 153.01 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -117.98 105.19 11.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.688 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.9 mt -92.87 147.82 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.51 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -142.34 130.94 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.658 HG21 HD23 ' A' ' 67' ' ' LEU . 10.1 mm -92.45 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.5 107.66 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 38' ' ' GLY . 8.9 t -133.83 166.85 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.51 -23.87 65.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -19.3 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.515 ' H ' HG23 ' A' ' 35' ' ' THR . . . 151.23 -126.61 2.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 33' ' ' ILE . 21.0 t -147.62 115.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 112.02 17.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -89.87 137.94 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 80.0 m95 -136.72 138.8 41.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -104.76 130.52 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.72 139.05 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.39 125.92 53.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.6 mp -75.77 -49.69 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD12 ' A' ' 26' ' ' LEU . 12.8 mtmt -40.76 -64.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -101.96 -178.26 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 49' ' ' LEU . 1.8 mm? -107.75 64.73 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 162.39 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 11' ' ' LYS . 40.8 t -145.59 136.95 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.01 157.84 44.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -104.13 137.52 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.21 -156.34 15.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.97 118.38 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.68 147.47 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -27.17 66.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.33 74.9 0.85 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.717 0.77 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.69 158.7 56.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.396 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.42 -37.24 52.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 98' ' ' ALA . 10.7 t -143.39 151.11 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 HD21 ' A' ' 32' ' ' ASN . 2.3 m -123.48 103.66 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.688 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.1 p -101.86 144.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.79 125.48 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' A' ' 89' ' ' ILE . 3.6 m -143.81 169.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.36 172.99 33.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.658 HD23 HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -65.25 -47.58 76.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.949 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -57.48 12.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.41 -53.6 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.417 ' HG3' HG21 ' A' ' 6' ' ' ILE . 3.9 tpt -57.34 -26.08 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' A' ' 6' ' ' ILE . 6.6 tt -73.03 -42.41 63.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.612 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.56 -37.1 84.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.38 -62.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.449 ' HB3' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -55.71 -33.17 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.44 -1.33 70.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 56.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.66 -61.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.47 170.02 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.9 p -118.32 154.75 31.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.784 HG21 ' HG ' ' A' ' 101' ' ' LEU . 72.0 t -49.84 -47.37 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.0 -43.53 61.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.745 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.8 -56.13 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -57.22 -34.18 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.31 -44.51 79.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -61.86 -34.61 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.15 -42.05 66.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.41 20.58 13.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -78.16 -33.47 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.694 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.2 mt -86.91 145.46 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -120.55 147.5 45.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.72 145.68 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.58 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.76 -104.77 0.64 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.75 78.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.51 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -58.94 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.825 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.86 -27.65 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.96 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -51.67 -29.18 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.784 ' HG ' HG21 ' A' ' 80' ' ' VAL . 5.5 tp -76.39 -52.31 10.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.13 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -51.89 -27.26 12.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 101' ' ' LEU . 13.2 p -55.32 -24.74 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -83.44 -25.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.418 ' O ' HG23 ' A' ' 105' ' ' ILE . 51.0 m-70 64.14 -169.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.4 m80 54.69 89.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -110.8 114.79 28.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -147.87 166.79 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -157.54 -64.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.3 112.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.58 -37.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -66.45 -13.69 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 10' ' ' ILE . 30.1 mm -62.67 -38.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -46.87 -45.07 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -65.17 -32.86 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.5 mt -69.28 -45.22 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.642 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.2 mtmt -71.32 -41.85 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.9 mmm180 -80.94 -55.1 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.5 m -46.96 -45.95 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -52.61 -28.55 30.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.01 -32.28 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 13' ' ' ARG . 29.5 t -57.63 153.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 158.15 32.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -40.42 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.98 -14.72 62.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.85 -68.7 1.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 179.75 3.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -68.82 159.78 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 87.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -151.17 173.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.675 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -173.58 124.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -176.69 -147.36 6.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.79 151.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' HD23 ' A' ' 97' ' ' LEU . 7.6 m-85 -138.43 151.07 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -110.33 103.32 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.0 mt -90.14 147.92 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.493 HD21 HG22 ' A' ' 62' ' ' THR . 1.5 m-20 -140.7 126.81 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.8 mm -94.99 109.34 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -71.86 118.0 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.723 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.4 t -135.66 158.22 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.99 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.22 -13.99 48.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.09 -128.5 2.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.26 116.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 111.25 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.88 144.11 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -142.5 147.12 35.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.18 128.83 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.72 141.47 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.67 140.98 49.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -92.77 -40.51 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 26' ' ' LEU . 9.1 mtmt -43.7 -64.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.82 -167.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 14' ' ' VAL . 2.8 mm? -111.07 70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 160.68 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG21 ' HG2' ' A' ' 11' ' ' LYS . 69.2 t -145.49 135.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.46 155.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -103.2 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.11 -158.46 14.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.95 117.83 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.4 147.29 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -25.58 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 t -170.64 75.49 0.58 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.699 0.762 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.52 62.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.55 -44.66 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 97' ' ' LEU . 2.8 t -147.23 152.06 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.493 HG22 HD21 ' A' ' 32' ' ' ASN . 1.8 m -110.09 114.42 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 31' ' ' LEU . 3.6 p -109.06 148.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -122.8 134.18 54.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG21 ' HG2' ' A' ' 70' ' ' MET . 7.4 p -150.34 150.12 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.15 167.13 53.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -65.63 -62.04 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.47 -57.95 8.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.529 ' HG2' HG21 ' A' ' 65' ' ' VAL . 1.2 mmm -62.91 -34.73 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 71' ' ' LEU . 9.4 tt -54.6 -37.52 65.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -73.43 -35.31 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.02 -63.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -30.86 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.09 -1.1 67.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt 64.78 56.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.9 m -131.65 -60.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -86.74 169.51 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 p -118.27 151.94 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.839 HG21 HG23 ' A' ' 104' ' ' VAL . 2.8 m -50.84 -36.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.16 94.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.666 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -59.52 -50.55 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -60.58 -33.75 73.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.52 -51.27 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -59.83 -43.54 94.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -71.03 -35.3 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 31.56 7.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.41 -33.35 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 83' ' ' ALA . 8.0 mt -107.83 110.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.67 148.35 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 165.88 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.34 110.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.92 148.55 24.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.414 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER 40.58 82.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.95 71.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.34 -54.68 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.54 -56.64 16.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.08 -28.83 26.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -73.61 -30.54 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -53.06 -51.42 61.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 104' ' ' VAL . 90.4 mt -55.08 -22.52 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -73.29 -28.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.3 -33.84 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.839 HG23 HG21 ' A' ' 80' ' ' VAL . 12.0 m -53.54 -23.34 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 102' ' ' ALA . 10.3 tp -49.86 -31.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.58 -68.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -171.87 43.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -51.8 127.47 20.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -166.59 149.02 6.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -54.53 119.06 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.87 108.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -53.62 -39.3 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -70.79 -13.84 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 74' ' ' SER . 4.0 mm -84.5 -55.23 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 10' ' ' ILE . 34.9 mm -63.38 -32.77 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -47.12 -41.52 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -71.03 -36.04 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.806 HD12 HD13 ' A' ' 7' ' ' ILE . 86.5 mt -65.43 -52.08 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -64.2 -41.21 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.37 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.05 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -81.44 -51.4 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.8 m -51.4 -43.31 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.38 -8.04 42.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.18 -22.15 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 14' ' ' VAL . 2.6 p -71.54 160.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.35 160.01 27.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.85 7.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.53 -13.97 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.9 -66.12 2.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.68 5.32 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.746 2.297 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HG3' HG12 ' A' ' 104' ' ' VAL . 1.1 mmt180 -68.68 165.67 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 89.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 m -150.47 173.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -171.69 127.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.22 -153.12 22.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.91 149.35 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.91 159.11 33.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -125.11 105.54 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.5 mt -94.92 147.84 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.21 125.71 20.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.8 mm -96.02 98.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.2 tttp -72.18 99.8 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . 16.3 p -108.77 -178.59 3.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.3 -22.6 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -22.34 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.65 -132.43 2.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.2 t -144.56 114.8 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 110.84 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.15 142.62 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -138.98 146.03 40.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.15 134.14 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.46 137.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -111.42 125.35 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 46' ' ' LEU . 7.0 mp -72.91 -51.29 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.12 -66.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.65 ' C ' HD22 ' A' ' 49' ' ' LEU . 29.0 mt-30 -95.75 -167.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.0 mm? -120.97 64.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.48 164.74 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 ' HG2' ' A' ' 11' ' ' LYS . 54.9 t -146.25 129.46 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.81 157.75 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -103.2 135.36 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.87 -159.54 16.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -114.33 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.78 147.15 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.4 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.46 76.03 0.83 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.678 0.751 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.42 53.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -77.05 -35.1 57.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.796 HG11 ' HB2' ' A' ' 98' ' ' ALA . 16.8 t -145.02 151.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -126.99 100.8 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.6 p -100.59 142.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -123.58 127.58 48.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 89' ' ' ILE . 3.0 m -141.25 165.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.65 138.91 14.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -49.61 -31.73 11.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -71.24 -41.23 70.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.66 -55.47 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.92 -33.87 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 71' ' ' LEU . 10.2 tt -53.09 -40.7 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -71.63 -31.36 66.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.24 -61.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.412 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.51 3.43 73.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 63.82 56.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.8 m -138.34 -58.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.8 mt -88.62 169.87 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -129.12 153.91 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.616 ' HB ' HG21 ' A' ' 105' ' ' ILE . 74.0 t -50.78 -47.29 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.83 61.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.504 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -64.46 -56.86 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.88 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.6 -50.43 44.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.33 -40.42 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.57 -39.21 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.97 27.5 8.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -76.8 -31.37 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.727 ' HA ' HG12 ' A' ' 65' ' ' VAL . 12.4 mt -86.47 126.85 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -92.79 147.89 22.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.03 143.89 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -173.25 137.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.01 -104.93 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.22 78.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -37.28 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -47.18 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -52.79 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.796 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.14 -28.98 28.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.35 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -42.68 66.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.54 -38.71 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.57 62.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -75.2 -50.6 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 23' ' ' ARG . 28.2 m -52.69 -27.19 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.616 HG21 ' HB ' ' A' ' 80' ' ' VAL . 45.9 mm -88.1 -33.87 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -178.78 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 63.11 34.59 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.07 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -129.7 115.73 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 61.17 97.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.423 ' CB ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.734 ' O ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER 64.08 109.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.507 HG22 HG21 ' A' ' 33' ' ' ILE . 75.4 t -71.3 -29.14 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.75 -44.66 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 2' ' ' SER . 3.9 t -62.93 -14.08 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.596 HD13 HG23 ' A' ' 5' ' ' THR . 4.3 mm -83.37 -52.95 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.476 HG22 ' HG3' ' A' ' 11' ' ' LYS . 25.8 mm -73.91 -34.11 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -46.16 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -68.75 -32.28 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.3 mt -68.14 -55.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.97 -49.2 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.44 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . 14.7 mmm180 -80.88 -44.07 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ILE . 74.5 t -47.96 -42.43 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.9 -28.22 39.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.73 -31.04 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.4 t -50.19 144.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.27 157.39 33.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.857 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.72 6.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -77.68 -14.05 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.91 -69.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HA ' HG21 ' A' ' 104' ' ' VAL . 53.9 Cg_endo -69.77 -166.0 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' HG2' HG23 ' A' ' 104' ' ' VAL . 11.1 mmt180 -67.39 162.23 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -66.43 86.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.41 HG11 ' CB ' ' A' ' 100' ' ' LYS . 30.6 m -152.77 173.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -174.31 122.2 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.89 -141.41 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.85 145.67 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 22.6 m-85 -124.74 158.94 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -118.88 100.23 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.7 mt -85.75 147.36 26.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.69 128.78 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.593 HG21 HD23 ' A' ' 67' ' ' LEU . 4.5 mm -94.43 161.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 12.5 tttt -117.64 106.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.9 t -131.62 169.44 16.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.81 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -17.71 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 35' ' ' THR . . . 148.98 -125.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.8 t -146.98 114.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' HG21 ' A' ' 3' ' ' VAL . 8.1 mp0 -77.97 111.77 14.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.13 134.8 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -132.34 148.07 52.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 mt -112.81 129.78 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 29' ' ' PHE . 2.3 p -131.84 139.63 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -113.45 142.91 45.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -96.18 -43.17 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.3 mtmt -44.44 -64.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -105.07 -167.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -113.0 76.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.58 34.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 11' ' ' LYS . 24.8 t -147.84 142.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.72 160.81 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -106.53 140.68 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.42 -155.74 16.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.8 t -111.14 120.66 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.04 143.9 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.15 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -172.15 78.99 0.47 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.9 48.01 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -85.53 -36.58 20.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 98' ' ' ALA . 36.8 t -147.87 139.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 m -107.67 126.44 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.661 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -122.2 144.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.96 131.99 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.4 p -149.99 150.58 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -88.0 169.87 38.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -65.35 -54.26 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.925 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.24 -51.76 31.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.01 -54.03 41.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.52 -24.5 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.423 HD23 ' CB ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -61.03 -51.44 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -59.37 -29.39 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -79.65 -63.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -56.33 -29.47 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.13 -0.86 66.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 64.75 56.83 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.5 m -133.67 -59.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -89.19 169.66 11.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -118.29 149.7 40.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.829 HG11 HD13 ' A' ' 105' ' ' ILE . 74.0 t -49.6 -42.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.85 95.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.646 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.01 -53.11 59.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.94 69.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 102' ' ' ALA . 8.1 tp -68.64 -45.7 71.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -62.05 -37.85 86.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.22 -41.89 73.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.77 26.97 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.77 -33.39 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 63' ' ' VAL . 1.9 mt -99.8 115.37 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -92.03 148.62 22.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 98' ' ' ALA . 7.0 mt -111.87 171.37 7.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -172.53 133.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.03 -117.71 5.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 67.48 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.326 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.44 -37.14 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -51.52 -48.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -54.87 -59.65 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -59.03 -28.98 66.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -57.99 -39.83 79.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' CB ' HG11 ' A' ' 25' ' ' VAL . 20.5 mmtm -63.27 -32.04 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.749 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -79.27 -46.56 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -67.73 -32.18 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -75.66 -34.8 60.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -53.08 -23.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.829 HD13 HG11 ' A' ' 80' ' ' VAL . 2.8 mp -89.4 -54.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.42 169.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -166.01 32.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.82 -169.9 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -126.35 176.52 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.99 173.24 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.644 ' CB ' HD11 ' A' ' 71' ' ' LEU . 13.4 ttm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.04 110.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.671 HG11 ' OE1' ' A' ' 40' ' ' GLU . 52.9 t -52.57 -37.99 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.74 -38.86 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 m -67.47 -13.4 62.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mm -84.72 -55.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 HD12 ' A' ' 10' ' ' ILE . 33.6 mm -64.81 -35.99 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.47 -46.12 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.44 -32.88 73.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.6 mt -68.43 -56.02 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.4 -44.66 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -41.89 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -31.36 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -64.68 -37.09 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.01 -7.31 81.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.21 -22.72 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 14' ' ' VAL . 4.7 p -72.61 145.73 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.98 158.72 33.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -40.83 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -78.63 -13.7 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -67.53 1.69 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.9 mmt180 -68.46 165.24 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.71 88.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 m -151.16 165.5 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -175.34 113.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' LYS . . . -171.69 -142.33 3.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -146.29 149.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HE2' HD23 ' A' ' 97' ' ' LEU . 6.3 m-85 -134.26 144.57 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -108.86 101.84 10.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -98.1 142.36 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.04 125.32 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 mm -84.13 152.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -118.26 99.13 6.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 67' ' ' LEU . 11.2 p -109.63 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -20.52 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.36 -129.29 2.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' ILE . 18.1 t -144.7 118.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.671 ' OE1' HG11 ' A' ' 3' ' ' VAL . 8.0 mt-10 -91.92 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -85.48 142.57 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.9 m95 -139.83 147.42 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -112.97 129.0 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.48 139.59 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.99 141.23 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 -40.4 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.66 ' HD3' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -44.7 -63.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -110.19 -175.67 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -102.91 76.43 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.92 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.7 t -145.7 141.74 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -106.87 144.0 34.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.24 -157.03 15.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.5 p -112.52 118.46 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.7 148.52 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.8 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -167.8 74.45 0.93 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.34 57.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.35 -42.7 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 97' ' ' LEU . 8.7 t -147.99 152.25 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 m -111.58 111.67 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -108.51 146.21 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -123.9 140.5 52.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.7 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -145.61 169.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.12 149.78 20.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 35' ' ' THR . 7.4 tp -58.13 -42.27 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.32 -40.44 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.41 -58.42 6.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -24.41 39.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.644 HD11 ' CB ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -68.45 -48.2 65.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.703 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.98 -39.61 95.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -74.83 -63.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -56.29 -25.84 49.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.65 4.41 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 64.24 56.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.72 -58.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.49 169.92 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.8 p -127.12 156.51 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG21 HG13 ' A' ' 105' ' ' ILE . 64.9 t -51.14 -47.15 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.88 -44.09 61.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.2 -55.15 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -33.49 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.14 -49.06 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.91 -39.88 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.97 30.7 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.82 -33.48 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.303 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.7 HG23 ' CG1' ' A' ' 65' ' ' VAL . 11.1 mt -96.53 119.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -95.92 147.56 23.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.16 159.46 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.23 111.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.3 146.03 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.496 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER 42.29 86.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.26 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -56.41 5.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -53.83 -53.51 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 -30.3 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.84 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.4 -51.26 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 104' ' ' VAL . 9.0 tp -56.75 -28.93 62.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.52 -52.93 7.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.72 -35.45 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 101' ' ' LEU . 1.8 p -56.03 -20.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.56 HG13 HG21 ' A' ' 80' ' ' VAL . 33.1 mm -84.19 -41.48 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -73.49 129.18 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 53.11 35.84 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.86 136.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.2 m170 52.98 89.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -73.16 84.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.727 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER 179.85 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.739 HG21 ' OE2' ' A' ' 40' ' ' GLU . 69.3 t -49.39 -29.57 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -65.88 -11.88 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.5 HG23 ' CB ' ' A' ' 74' ' ' SER . 5.1 mm -83.34 -55.17 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.623 HG23 HG11 ' A' ' 51' ' ' VAL . 30.6 mm -59.99 -42.63 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -47.46 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -33.05 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 14' ' ' VAL . 95.7 mt -70.56 -43.71 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.6 mtmt -71.75 -42.11 67.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.59 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.813 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.6 mmm180 -80.83 -55.27 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 10' ' ' ILE . 8.5 m -46.65 -46.31 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.73 -29.23 25.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.59 -32.39 11.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 13' ' ' ARG . 21.9 t -58.86 155.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -100.02 157.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.641 0.734 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.16 5.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.76 -13.23 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.96 159.16 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.36 87.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 100' ' ' LYS . 33.0 m -151.8 173.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.6 pt? -171.43 121.99 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.54 -135.03 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.1 150.46 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.13 153.99 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -120.08 101.89 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.3 pp -98.32 145.01 27.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -126.43 128.96 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 31' ' ' LEU . 8.7 mm -94.46 107.15 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -74.41 99.14 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.805 HG22 HD13 ' A' ' 67' ' ' LEU . 13.2 p -101.15 169.67 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.44 -4.42 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -112.0 -18.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.86 -134.19 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -146.19 114.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.739 ' OE2' HG21 ' A' ' 3' ' ' VAL . 3.8 mt-10 -89.18 111.77 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.69 142.03 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -138.82 144.86 39.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.4 mt -107.65 137.76 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.84 138.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.98 138.34 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -45.39 10.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.2 mttt -44.31 -64.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.65 -168.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.88 69.73 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 166.08 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 11' ' ' LYS . 77.3 t -144.84 137.72 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.1 157.48 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -104.31 139.99 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.15 -159.21 14.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.05 116.46 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.47 147.63 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -28.98 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.63 75.89 0.95 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.21 61.2 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.06 -42.61 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 92' ' ' SER . 19.2 t -148.25 144.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.3 m -110.3 113.59 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 89' ' ' ILE . 2.1 p -110.23 143.99 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.44 134.29 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.5 p -144.97 149.13 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 151.32 42.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.805 HD13 HG22 ' A' ' 35' ' ' THR . 7.1 tp -66.16 -43.67 86.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.03 -45.65 66.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.06 -56.08 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 tpp -55.14 -37.7 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -54.35 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.946 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.93 -32.41 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -75.85 -62.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.5 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -56.64 -22.06 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.74 9.38 65.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.83 56.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -57.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.946 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.6 mt -87.46 169.41 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.83 157.06 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -55.06 -30.36 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.59 ' HA2' HD12 ' A' ' 105' ' ' ILE . . . -65.9 -46.54 81.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -58.33 -46.43 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -66.12 -34.68 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -70.67 -50.49 36.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -44.05 92.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.75 -39.0 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 31.36 5.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.87 -33.28 57.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' VAL . 1.2 mt -99.12 119.18 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -92.3 149.27 21.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 163.58 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.8 t -173.09 159.78 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.2 -115.12 5.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -90.35 69.61 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.806 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -36.56 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -52.17 -47.54 65.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CB ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -59.49 -53.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -29.83 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.64 -30.71 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -56.41 -28.55 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.2 -55.65 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -57.35 -45.5 84.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -51.44 -32.03 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 100' ' ' LYS . 50.1 t -53.54 -23.67 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.59 HD12 ' HA2' ' A' ' 81' ' ' GLY . 16.9 tt -50.0 -32.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.35 -75.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.7 t60 63.66 106.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.62 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -56.9 110.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.04 90.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' N ' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 65.82 114.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.33 -32.75 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.19 -40.28 97.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -66.17 -13.39 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.7 mm -84.7 -54.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 10' ' ' ILE . 22.6 mm -68.96 -31.44 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -45.21 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -63.23 -34.99 78.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.862 ' O ' HG22 ' A' ' 14' ' ' VAL . 45.0 mt -66.98 -50.31 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -63.35 -42.86 98.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.16 75.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.752 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.2 tpt180 -78.26 -56.55 4.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.5 m -52.92 -45.62 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.19 -12.08 79.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.9 -31.91 12.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 13' ' ' ARG . 40.2 t -49.39 150.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.56 142.78 71.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.74 10.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -78.59 -15.32 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.28 61.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -122.16 158.67 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 83.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.579 ' HB ' HD23 ' A' ' 46' ' ' LEU . 22.0 m -155.07 163.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.3 112.71 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.57 -148.57 19.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 t -143.41 149.04 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.74 157.17 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -125.18 105.44 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.733 HD23 ' CG1' ' A' ' 63' ' ' VAL . 11.7 mt -94.01 148.35 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.557 HD21 HG22 ' A' ' 62' ' ' THR . 2.4 m-20 -139.96 126.24 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.612 HG22 ' HB3' ' A' ' 67' ' ' LEU . 3.9 mm -95.5 100.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -72.58 100.08 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . 15.0 p -109.99 -179.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.1 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -21.62 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.26 -133.89 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.8 t -144.5 114.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -84.7 110.62 18.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.73 141.71 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -138.03 146.79 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.66 134.99 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -137.46 134.67 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -105.4 128.4 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.7 mp -73.9 -56.38 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -41.89 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -89.76 174.47 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.6 mm? -107.37 67.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.39 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 11' ' ' LYS . 55.3 t -145.3 134.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.53 157.12 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.94 135.79 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 -159.46 15.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.42 117.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -53.0 147.94 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.86 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.51 74.57 1.15 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.7 52.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -75.46 -35.75 60.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.804 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.3 t -145.59 151.38 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.557 HG22 HD21 ' A' ' 32' ' ' ASN . 1.9 m -126.48 105.67 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.733 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -106.24 139.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -124.82 114.29 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 89' ' ' ILE . 4.1 t -128.38 160.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -76.46 148.14 35.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -65.35 -33.87 76.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.13 -55.0 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 1.2 t0 -52.56 -53.59 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 11.2 tpp -59.3 -30.95 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.507 HD11 ' N ' ' A' ' 1' ' ' MET . 5.3 tt -54.9 -55.82 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -55.18 -29.4 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.0 mt -76.89 -59.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.704 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -56.08 -24.47 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.81 5.64 74.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.04 56.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -139.44 -58.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.91 169.82 10.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -127.91 160.32 32.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.487 ' CG2' HG21 ' A' ' 105' ' ' ILE . 73.7 t -54.29 -47.34 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.68 -42.69 59.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.25 -55.46 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -58.26 -34.33 70.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 106' ' ' HIS . 7.1 tp -67.72 -40.79 84.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -64.97 -32.45 74.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.92 -43.02 72.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.42 20.1 12.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -76.81 -33.7 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.3 mp -80.3 113.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -92.13 145.63 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.44 148.8 32.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.09 119.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.31 -104.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.94 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.95 -37.15 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -46.82 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -53.08 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.804 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.76 -29.69 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.27 88.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.88 70.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.48 -44.99 56.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 -30.42 62.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.46 -55.48 6.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.58 -28.61 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.487 HG21 ' CG2' ' A' ' 80' ' ' VAL . 34.7 mm -87.55 -27.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.505 ' CE1' HD22 ' A' ' 84' ' ' LEU . 44.1 p-80 -171.99 133.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 63.47 85.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -107.46 119.99 40.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.0 t60 63.11 90.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -85.4 -59.31 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.765 0.316 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.724 ' O ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -179.93 113.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.751 HG21 ' OE1' ' A' ' 40' ' ' GLU . 69.7 t -49.45 -29.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -42.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -66.12 -11.66 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 5' ' ' THR . 5.2 mm -83.52 -55.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' ILE . 27.6 mm -56.15 -43.0 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -47.35 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -33.25 75.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.867 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.7 mt -69.19 -53.55 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.72 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.8 mtmt -62.21 -49.5 75.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.23 -33.95 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.659 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.6 mmm180 -78.9 -46.49 18.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 10' ' ' ILE . 39.9 t -49.56 -45.02 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.16 -21.48 61.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.55 -32.1 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 13' ' ' ARG . 63.8 t -49.93 146.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.89 156.9 86.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.03 4.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.79 -19.98 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.1 165.7 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HB2' HG13 ' A' ' 104' ' ' VAL . 53.8 Cg_endo -69.72 -14.12 35.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.376 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -147.81 141.5 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -67.99 87.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.6 m -151.53 170.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.12 122.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.13 -138.54 3.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -144.96 151.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CE1' HD23 ' A' ' 97' ' ' LEU . 11.5 m-85 -134.54 144.8 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -112.42 101.88 10.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.69 147.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' HB2' HG23 ' A' ' 64' ' ' THR . 4.6 m-20 -129.87 130.24 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.586 HG22 ' HB3' ' A' ' 67' ' ' LEU . 6.3 mm -92.93 102.86 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 103.09 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.0 t -122.66 166.97 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.02 73.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -72.91 -17.84 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.95 -126.15 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.93 114.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.751 ' OE1' HG21 ' A' ' 3' ' ' VAL . 2.3 mt-10 -89.33 111.05 21.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.41 134.78 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 78.5 m95 -131.86 146.9 52.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.2 mt -109.84 131.55 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.13 139.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.68 140.4 49.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.08 -44.17 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -63.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -107.12 -175.97 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.735 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -106.6 74.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 162.13 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 11' ' ' LYS . 63.6 t -145.23 139.9 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.73 38.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -108.94 141.47 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.94 -153.71 17.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.03 121.46 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 4.9 t80 -57.34 149.11 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.23 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -169.19 74.67 0.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.674 0.75 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.1 Cg_endo -69.78 155.32 66.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.46 -43.71 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.73 149.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -112.04 99.21 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.82 147.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -124.1 136.32 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 89' ' ' ILE . 3.9 p -151.7 149.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.43 149.95 47.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -65.35 -34.0 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.35 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.45 -49.94 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.491 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.61 -41.6 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.93 -40.55 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -44.35 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.2 mt -74.67 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 t -55.76 -24.51 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 9.95 65.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 63.31 56.57 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.56 -59.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.7 mt -94.62 169.95 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.8 p -124.01 149.39 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' A' ' 105' ' ' ILE . 71.1 t -49.14 -43.3 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.07 92.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -64.89 -53.93 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.75 -34.07 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -67.62 -46.51 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -61.5 -38.77 88.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -72.47 -40.17 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.83 9.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -76.81 -32.48 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.509 HD13 HG23 ' A' ' 65' ' ' VAL . 8.3 mm -83.08 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -109.07 149.81 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.75 172.08 7.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.3 -164.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.98 -171.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 43.4 68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.65 -38.01 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -52.5 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -59.0 -58.23 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.25 -41.1 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -52.61 -28.11 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.3 -38.06 43.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.62 -47.09 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -51.99 -33.42 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 100' ' ' LYS . 70.5 t -52.41 -44.16 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.559 ' CD1' HG21 ' A' ' 80' ' ' VAL . 5.2 mp -88.84 -40.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 114.63 27.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 90.31 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -145.86 166.42 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -153.12 159.24 42.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -136.3 143.61 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.29 111.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.61 -37.39 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.79 95.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -65.83 -14.48 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.635 HG23 ' OG ' ' A' ' 74' ' ' SER . 3.8 mm -84.38 -54.17 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 10' ' ' ILE . 23.8 mm -72.86 -31.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.19 -43.98 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -65.06 -33.98 77.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.847 ' O ' HG22 ' A' ' 14' ' ' VAL . 74.4 mt -66.8 -49.24 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 1.5 mtmt -63.4 -42.44 98.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.27 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.745 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.6 tpt180 -79.72 -55.19 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 10' ' ' ILE . 6.7 m -52.07 -44.99 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.73 -13.09 68.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.37 -32.28 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 13' ' ' ARG . 45.2 t -51.49 151.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.44 156.84 1.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.2 11.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.95 -25.17 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.06 82.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 73.79 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.22 122.78 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.84 85.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.802 ' HB ' HD23 ' A' ' 46' ' ' LEU . 15.3 m -152.94 158.53 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.28 113.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.62 -153.43 25.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 44' ' ' VAL . 4.1 t -144.63 144.52 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 22.9 m-30 -121.28 162.49 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -124.86 100.84 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.8 mm? -84.73 147.85 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.91 124.96 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.0 mm -87.85 149.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 98.99 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.486 ' HB ' HD13 ' A' ' 67' ' ' LEU . 6.3 t -130.49 164.54 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -29.78 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -72.93 -16.95 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.55 -127.83 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 33' ' ' ILE . 17.9 t -149.99 116.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.5 112.29 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.45 139.2 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -137.19 143.03 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.0 135.99 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.5 p -137.23 138.66 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.88 131.13 55.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.0 mp -75.96 -57.23 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.91 -66.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -92.73 174.14 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -107.91 69.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.73 164.9 21.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 11' ' ' LYS . 53.4 t -145.54 131.38 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.76 156.32 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.52 132.9 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.35 -154.71 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.3 p -115.7 121.07 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.34 146.01 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.78 67.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -167.86 75.04 0.92 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.65 52.66 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.11 -28.85 23.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.6 t -146.08 152.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -129.19 109.35 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 31' ' ' LEU . 2.2 p -113.01 144.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -123.48 137.2 54.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.7 p -150.56 150.38 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.35 153.4 52.91 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 35' ' ' THR . 2.5 pt? -65.42 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.58 -43.42 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.6 -57.4 10.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 6' ' ' ILE . 3.9 mmt -58.43 -29.39 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -56.56 -52.54 64.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.03 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.5 mt -76.11 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.635 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.9 p -56.34 -27.6 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.0 3.74 78.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.45 56.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -131.77 -60.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.3 mt -92.32 169.57 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.5 p -122.55 153.88 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -51.78 -41.8 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA2' HD12 ' A' ' 105' ' ' ILE . . . -59.13 -40.29 95.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.64 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.75 -54.12 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -34.02 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 84' ' ' LEU . 8.0 tp -69.02 -49.23 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.19 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.69 -41.01 79.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.54 28.36 7.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.9 -33.53 57.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 65' ' ' VAL . 2.5 mt -92.24 123.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.9 149.16 21.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.87 150.04 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -173.23 138.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.8 -105.14 2.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.07 77.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.97 -38.45 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.1 t0 -56.85 -49.3 75.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -58.55 -58.76 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -57.18 -29.0 63.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.72 -34.77 40.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -52.55 -29.31 24.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' ' 104' ' ' VAL . 53.1 mt -76.35 -55.28 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -51.2 -30.24 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.65 -30.06 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 101' ' ' LEU . 9.9 p -57.37 -23.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 102' ' ' ALA . 11.4 tt -51.42 -30.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -67.92 91.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -167.55 172.04 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -110.68 107.82 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -95.73 130.73 42.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.3 m80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.569 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -177.57 112.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.535 HG21 ' CD ' ' A' ' 40' ' ' GLU . 75.3 t -67.97 -32.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.32 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 2' ' ' SER . 52.9 p -67.18 -12.75 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.8 mm -85.02 -55.48 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.522 HD13 HD12 ' A' ' 10' ' ' ILE . 25.9 mm -62.4 -33.91 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.59 -46.86 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -35.02 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.818 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.6 mt -67.54 -54.07 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.0 mtmt -62.34 -46.8 87.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.48 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.26 -29.69 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.2 t -66.38 -38.39 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.61 -9.06 82.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.77 -25.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 14' ' ' VAL . 5.6 p -79.39 139.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.76 157.67 33.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.91 11.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.0 -11.09 60.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.44 174.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.22 8.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 90.58 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -78.28 89.11 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.649 ' HB ' HD23 ' A' ' 46' ' ' LEU . 14.7 m -145.63 154.65 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.59 114.46 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' O ' HD13 ' A' ' 46' ' ' LEU . . . 146.29 129.6 2.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.55 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 t -62.25 148.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.5 149.42 51.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -111.4 101.29 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.5 mm? -84.81 145.74 27.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.1 127.09 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.681 HG21 HD23 ' A' ' 67' ' ' LEU . 4.4 mm -93.68 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -117.61 108.23 15.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.0 t -133.2 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.03 64.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -18.26 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.08 -125.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 33' ' ' ILE . 24.4 t -147.94 114.59 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 3' ' ' VAL . 5.9 mp0 -77.12 111.81 13.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.08 137.8 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -135.04 151.28 50.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.47 131.38 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.51 137.79 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.97 108.23 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD23 ' HB ' ' A' ' 25' ' ' VAL . 9.7 mp -64.58 -55.65 19.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.18 -64.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.561 ' C ' HD22 ' A' ' 49' ' ' LEU . 33.0 mt-30 -88.71 -169.81 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.1 mm? -122.75 75.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 166.5 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.1 t -146.21 139.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.16 159.76 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -105.41 140.71 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.17 -155.91 15.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -112.99 121.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.57 143.88 49.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.64 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 t -170.13 78.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 161.65 45.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' HD13 ' A' ' 97' ' ' LEU . 6.6 t0 -83.66 -33.69 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 98' ' ' ALA . 21.8 t -146.87 151.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 m -121.09 100.48 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.528 ' CG1' HD13 ' A' ' 31' ' ' LEU . 1.9 p -97.66 142.82 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 125.98 46.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 89' ' ' ILE . 2.3 m -142.98 169.19 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.38 172.47 23.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -64.95 -56.09 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.68 -47.56 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -52.8 -56.07 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 6' ' ' ILE . 1.8 mtt -66.02 -24.11 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.44 -43.33 99.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.693 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -68.79 -33.53 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.34 -63.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.615 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.05 -28.75 58.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.07 -0.83 66.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.03 56.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.1 m -135.83 -58.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 72' ' ' ALA . 4.1 mt -88.48 169.92 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.26 157.88 32.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.558 ' CG1' HG21 ' A' ' 105' ' ' ILE . 39.7 t -57.35 -27.96 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.81 -43.55 58.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.597 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -61.23 -49.46 77.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.47 72.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.36 -49.97 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -60.41 -40.93 92.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -74.41 -35.61 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.26 6.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.65 -32.26 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.625 ' HA ' HG12 ' A' ' 65' ' ' VAL . 5.3 mm -88.37 154.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.4 148.91 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.6 142.02 47.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.8 110.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.78 -104.83 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.58 79.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.7 -37.56 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -48.45 62.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.438 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -69.63 -49.3 55.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.68 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.53 -28.8 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.95 74.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 104' ' ' VAL . 16.1 mmtm -55.68 -43.8 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -41.14 97.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 105' ' ' ILE . . . -73.35 -29.74 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.01 -50.09 15.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 100' ' ' LYS . 28.3 m -64.24 -38.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.558 HG21 ' CG1' ' A' ' 80' ' ' VAL . 9.6 tp -74.29 -20.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.05 169.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -97.99 35.61 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.02 -172.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -76.54 67.49 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -122.19 150.13 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.2 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.33 -36.7 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -61.23 -41.37 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -65.86 -13.65 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.61 -54.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 10' ' ' ILE . 30.2 mm -63.87 -37.62 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.52 -46.16 27.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -63.26 -32.74 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 14' ' ' VAL . 89.4 mt -68.86 -46.82 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.8 -30.15 69.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -50.47 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 10' ' ' ILE . 13.3 m -51.84 -43.42 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.37 -7.19 51.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 175.89 -139.54 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -147.21 144.79 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -124.87 153.51 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -113.14 104.09 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.711 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.9 mt -90.91 147.55 23.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.405 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -141.98 125.85 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.544 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.9 mm -95.51 109.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 116.82 10.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -134.1 157.17 46.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.28 67.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.0 m -86.62 -14.16 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.85 -128.17 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -152.6 116.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.01 111.15 19.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.66 147.0 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CE2' HG13 ' A' ' 7' ' ' ILE . 76.6 m95 -145.43 147.48 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.67 132.0 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.08 137.19 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.04 138.29 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -89.77 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HD3' HD12 ' A' ' 26' ' ' LEU . 15.1 mttt -44.04 -64.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.651 ' C ' HD22 ' A' ' 49' ' ' LEU . 2.3 mm-40 -101.91 -166.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 48' ' ' GLN . 2.8 mm? -118.22 73.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 166.55 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HG2' ' A' ' 11' ' ' LYS . 74.7 t -145.04 135.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.83 155.82 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.8 140.53 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.93 -160.23 13.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.2 p -113.63 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.18 145.7 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.01 -27.84 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -170.24 77.47 0.62 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.59 59.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.2 m-20 -73.52 -37.86 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.8 t -146.1 151.41 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.405 HG22 HD21 ' A' ' 32' ' ' ASN . 5.2 m -119.64 113.3 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.711 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -111.96 139.11 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 m -124.73 113.98 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 89' ' ' ILE . 3.4 t -128.28 161.32 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -80.42 164.67 47.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.98 -53.33 40.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.84 -50.59 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.63 -56.33 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.609 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -54.18 -26.53 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -48.93 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.686 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.22 -39.45 92.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.64 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.491 ' CB ' HG23 ' A' ' 6' ' ' ILE . 2.6 t -55.71 -29.11 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.39 -0.6 72.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.98 56.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.7 m -134.43 -59.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -85.22 169.56 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.7 p -117.41 151.58 36.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -50.47 -41.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.62 -41.55 98.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.681 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -62.62 -53.38 55.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.98 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 tp -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -62.57 -35.81 80.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -69.85 -41.52 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 21.94 11.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -76.75 -33.07 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.734 ' HA ' HG22 ' A' ' 65' ' ' VAL . 16.4 mt -90.69 110.58 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -94.8 142.31 27.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 158.23 18.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -173.91 123.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 -110.97 2.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -99.99 73.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.65 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.53 -47.72 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -66.59 -48.74 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.705 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -58.98 -28.26 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -30.57 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.32 -55.43 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.78 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.922 0.391 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.484 HG21 ' OE1' ' A' ' 40' ' ' GLU . 75.0 t -56.02 -28.51 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.546 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.9 m -64.39 -13.68 52.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.68 -54.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.664 HD13 HD12 ' A' ' 10' ' ' ILE . 33.3 mm -68.67 -36.96 76.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.97 -43.68 29.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.546 ' NH1' HG22 ' A' ' 5' ' ' THR . 3.0 mpt_? -70.49 -32.7 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 72.8 mt -68.82 -55.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.22 -45.49 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.39 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -80.31 -40.97 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.721 HG12 ' HB3' ' A' ' 49' ' ' LEU . 24.6 t -50.55 -37.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.21 -24.19 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.43 -135.83 2.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.73 148.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -127.93 150.52 49.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -113.0 103.74 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -91.93 148.29 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.9 125.45 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' CG2' HD23 ' A' ' 67' ' ' LEU . 4.3 mm -95.6 106.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -72.73 110.34 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 67' ' ' LEU . 15.1 t -126.56 170.79 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.12 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -14.32 56.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.41 -125.39 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.53 115.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 4.9 mt-10 -84.08 110.81 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.35 144.54 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -141.55 146.36 36.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.75 129.93 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.28 138.15 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -112.12 139.45 47.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -42.87 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -44.78 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.475 ' C ' HD13 ' A' ' 49' ' ' LEU . 28.0 mt-30 -103.5 -167.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.721 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -113.99 71.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 160.79 36.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 11' ' ' LYS . 42.3 t -145.87 141.21 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.71 160.0 40.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -105.03 142.01 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.14 -158.06 14.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.83 118.23 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -54.19 146.93 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.9 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -169.57 76.07 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.45 53.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.56 -36.25 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.8 t -145.82 151.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 m -126.03 109.13 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 89' ' ' ILE . 1.5 p -112.41 144.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -122.98 133.5 54.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.525 ' HB ' HG23 ' A' ' 89' ' ' ILE . 6.9 p -149.74 150.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.15 165.82 54.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -66.47 -52.55 45.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.52 -55.66 10.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -52.29 -53.62 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.71 -39.52 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -50.43 -50.98 50.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -58.82 -33.05 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.2 mt -75.29 -62.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 p -55.87 -30.48 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.29 0.41 74.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 64.1 56.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.14 -60.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -92.09 169.86 10.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.2 p -120.06 153.71 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 m -51.16 -41.6 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.08 -41.86 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.688 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.77 -54.33 40.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.98 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.54 -43.98 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -62.04 -34.09 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.11 -41.11 74.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.61 19.13 21.22 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.68 -33.16 58.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 63' ' ' VAL . 3.8 mt -93.15 122.88 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -92.23 148.76 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.71 149.35 31.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 t -173.32 136.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -109.39 3.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.48 76.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.338 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.09 -36.44 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.17 -47.93 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -54.0 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.779 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.92 -28.86 58.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.95 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -52.81 -42.73 65.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.941 0.4 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.53 HG22 HG21 ' A' ' 33' ' ' ILE . 81.3 t -50.45 -37.26 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.26 -44.64 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.09 -15.77 57.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 70' ' ' MET . 4.0 mm -83.42 -55.13 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 10' ' ' ILE . 37.4 mm -66.92 -41.38 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -39.9 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -32.72 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.781 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.9 mt -70.19 -55.61 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.01 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.79 -31.54 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.8 t -62.91 -38.22 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.41 -6.07 79.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.085 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.95 -139.27 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -145.97 148.3 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.83 152.55 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -120.21 104.02 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.48 141.4 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.4 129.41 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 3' ' ' VAL . 9.1 mm -86.77 155.85 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 9.1 ttpt -117.35 106.93 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 38' ' ' GLY . 9.5 t -129.72 168.04 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -22.67 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -16.59 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' H ' HG23 ' A' ' 35' ' ' THR . . . 147.75 -124.17 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.0 t -146.23 117.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 14.8 mt-10 -86.98 112.11 21.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -87.54 141.55 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -138.9 149.73 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -114.59 132.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -132.91 139.39 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.8 142.71 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.35 -42.06 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 26' ' ' LEU . 7.4 mtmt -44.42 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -105.55 -166.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.4 mm? -113.81 75.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 164.02 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.6 t -147.59 141.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.33 159.87 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -106.18 143.09 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.79 -157.78 14.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.0 p -114.0 116.54 52.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.83 148.28 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.84 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.77 74.37 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.44 49.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.35 -39.7 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.6 t -146.05 151.35 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -117.05 100.97 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 89' ' ' ILE . 2.7 p -99.25 145.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -123.08 129.0 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.88 150.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -82.52 172.08 51.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -65.15 -56.76 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.5 -53.21 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.92 -53.54 47.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.438 ' SD ' HG21 ' A' ' 6' ' ' ILE . 3.0 ttt -64.3 -24.44 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.04 -48.04 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.4 -30.69 71.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.8 mt -79.72 -63.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 p -56.77 -31.76 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.9 -0.96 66.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.12 56.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.41 -60.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -88.76 169.29 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.3 p -114.29 149.73 35.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.4 t -49.17 -43.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.95 95.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.721 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.79 -54.29 37.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.833 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.18 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.58 -45.15 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -61.91 -37.49 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.39 -41.92 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.44 33.51 5.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -88.4 -33.09 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.485 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -100.66 112.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.22 148.73 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 163.2 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -173.7 143.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.38 -108.0 3.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 73.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.69 -36.69 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -46.9 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -55.54 16.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.33 -28.58 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -28.99 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.56 -35.35 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.907 0.384 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.648 HG11 ' OE2' ' A' ' 40' ' ' GLU . 55.7 t -51.3 -36.91 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -42.0 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.489 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -64.62 -14.89 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' CD1' HD22 ' A' ' 71' ' ' LEU . 4.3 mm -82.68 -54.31 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 10' ' ' ILE . 36.5 mm -68.14 -39.45 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.89 -45.34 30.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.489 ' NH1' HG22 ' A' ' 5' ' ' THR . 18.7 mtt85 -70.68 -31.55 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.8 mt -69.54 -55.84 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.83 -45.42 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.05 -42.25 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -80.55 -34.14 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' HB3' ' A' ' 49' ' ' LEU . 25.6 t -60.69 -34.33 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.92 -5.23 90.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -177.41 -141.94 4.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -145.63 147.45 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.52 154.55 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -122.2 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.7 pp -102.35 142.98 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -125.85 130.7 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 31' ' ' LEU . 6.7 mm -94.95 105.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -68.92 104.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.089 HG22 HD21 ' A' ' 67' ' ' LEU . 18.0 p -109.78 154.56 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.21 -17.22 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -98.94 -17.1 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.34 -134.47 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.0 t -148.08 116.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.648 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.4 mt-10 -88.48 111.01 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -86.04 142.48 28.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.426 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.5 m95 -138.22 147.7 44.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -113.12 131.8 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.94 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.34 140.62 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -93.9 -42.25 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.2 mtmt -44.16 -64.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -105.62 -168.39 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.18 69.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 161.64 29.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.674 HG21 ' HG2' ' A' ' 11' ' ' LYS . 43.1 t -145.93 140.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.11 159.08 42.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -105.42 142.33 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.85 -157.52 14.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -114.21 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.3 t80 -52.36 148.78 6.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.33 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -166.39 73.85 1.18 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.7 Cg_endo -69.77 159.86 51.82 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -74.9 -39.49 61.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.5 t -146.44 151.68 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -123.27 110.51 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG22 ' A' ' 89' ' ' ILE . 1.5 p -110.92 143.07 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -123.02 130.79 53.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.705 ' CG1' HG23 ' A' ' 89' ' ' ILE . 6.1 m -143.12 165.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.3 161.48 28.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.089 HD21 HG22 ' A' ' 35' ' ' THR . 0.4 OUTLIER -54.22 -61.02 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.972 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.32 -43.26 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.98 -53.89 53.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.56 ' HG2' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.28 -23.96 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.17 -45.85 75.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.599 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -64.93 -41.83 95.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.65 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.54 -28.01 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.05 2.53 69.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 64.91 56.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 m -134.98 -59.58 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.5 169.63 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.9 p -118.8 151.59 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.8 t -49.25 -44.54 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.15 -41.61 86.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.698 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.36 -54.78 31.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -58.71 -34.4 71.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.46 -44.96 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -61.51 -34.43 75.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.92 -38.76 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.6 22.99 14.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -78.27 -33.26 49.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.705 HG23 ' CG1' ' A' ' 65' ' ' VAL . 3.3 mt -89.76 117.35 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.97 144.64 25.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 98' ' ' ALA . 5.4 mt -109.16 152.03 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 124.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.22 -114.47 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.84 73.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.76 -36.07 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.78 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -59.17 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.668 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.95 -27.23 29.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -29.24 17.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.6 -34.86 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.595 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.942 0.401 . . . . 0.0 110.836 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.655 HG11 ' OE1' ' A' ' 40' ' ' GLU . 5.2 p -67.92 -31.37 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -38.77 90.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 2' ' ' SER . 55.2 p -67.5 -12.22 59.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.28 -55.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 10' ' ' ILE . 29.6 mm -54.78 -43.18 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -47.36 -45.72 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -32.71 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.0 mt -68.9 -56.58 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.651 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.41 -48.96 77.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.87 -33.25 35.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -79.86 -47.7 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.887 HG12 ' HB3' ' A' ' 49' ' ' LEU . 26.1 t -49.53 -42.95 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.75 -26.22 59.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.75 -171.03 28.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -108.81 148.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -127.14 149.27 50.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -118.61 102.86 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -96.49 141.36 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -120.62 128.37 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.455 HG22 ' HG ' ' A' ' 67' ' ' LEU . 9.1 mm -93.63 101.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.12 111.23 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.656 ' HB ' HD21 ' A' ' 67' ' ' LEU . 7.6 t -128.46 163.66 24.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.5 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -82.19 -12.48 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.34 -126.69 2.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.31 114.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.655 ' OE1' HG11 ' A' ' 3' ' ' VAL . 5.1 mt-10 -87.49 109.82 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.18 136.21 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -131.06 145.42 52.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -106.89 134.03 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.49 138.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.98 118.74 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.5 mp -71.02 -56.48 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -41.78 -64.63 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.92 179.34 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.887 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.16 66.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 168.51 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.651 HG21 ' HG2' ' A' ' 11' ' ' LYS . 52.9 t -147.53 142.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.58 159.56 41.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.24 141.7 37.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.34 -156.01 15.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.8 120.03 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.33 146.7 23.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.65 -26.87 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 t -170.3 76.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 159.37 53.72 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.94 -37.11 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.1 t -146.27 152.0 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -123.75 106.01 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' HG22 ' A' ' 89' ' ' ILE . 4.1 p -104.91 149.11 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 m -122.28 129.07 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.45 HG13 ' HG3' ' A' ' 70' ' ' MET . 7.5 p -149.71 150.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.03 167.83 52.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -66.59 -51.08 60.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.83 -57.44 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -53.46 -52.04 60.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.85 -29.31 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.75 -42.36 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -65.48 -42.97 91.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.01 -63.57 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.516 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.7 p -56.69 -26.13 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.73 5.18 70.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 tttt 64.11 56.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.23 -59.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -91.23 169.62 10.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.0 p -117.36 150.67 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.83 -42.66 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.45 95.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.88 -54.52 33.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' HB1' ' OD2' ' A' ' 69' ' ' ASP . . . -58.54 -34.14 70.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.9 -44.76 76.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -61.76 -35.94 79.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.28 -41.09 73.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.07 21.45 13.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -76.72 -33.4 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.504 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -96.96 111.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -92.61 144.82 24.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.97 160.31 14.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 143.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.29 -111.35 4.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.6 76.49 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.28 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.23 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -53.04 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.13 -28.43 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.59 88.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -52.75 -39.64 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.8 mt -62.42 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -50.51 -30.82 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -41.8 97.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -14.24 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.14 -55.06 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.568 HD13 HD12 ' A' ' 10' ' ' ILE . 36.6 mm -65.95 -38.86 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -35.83 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.43 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 14' ' ' VAL . 97.4 mt -65.01 -51.59 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.717 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.93 71.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.94 -54.19 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.4 m -46.88 -45.99 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.75 -28.89 24.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.854 0.359 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.12 -136.55 3.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.13 149.74 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.83 156.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -125.34 106.65 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.5 pp -107.25 139.08 42.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.601 ' OD1' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -125.59 130.74 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.7 mm -90.04 98.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.0 mtpt -70.52 99.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.718 ' HA ' HD22 ' A' ' 67' ' ' LEU . 3.6 t -117.47 161.65 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -25.7 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -81.62 -20.62 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.441 ' H ' HG23 ' A' ' 35' ' ' THR . . . 156.31 -130.99 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.1 t -146.47 114.55 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -87.66 111.11 20.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.18 139.91 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HG13 ' A' ' 7' ' ' ILE . 71.6 m95 -138.52 146.83 42.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -112.55 137.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.54 137.73 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.03 139.03 45.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -88.53 -45.26 10.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.6 mttt -44.25 -64.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.48 -167.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.78 69.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 163.58 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.717 HG21 ' HG2' ' A' ' 11' ' ' LYS . 67.5 t -145.45 136.72 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.71 157.33 46.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -103.5 137.23 41.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.31 -157.48 15.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -114.75 117.35 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.14 147.52 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 -28.04 66.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.99 75.39 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.32 -38.59 60.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.7 t -146.11 151.71 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 m -122.36 100.49 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.99 140.7 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -122.73 133.43 54.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.95 149.09 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 142.0 33.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -55.9 -32.37 63.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.4 -50.52 63.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -54.24 -53.44 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -61.71 -25.14 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.74 -55.27 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.92 -31.75 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -76.55 -60.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 -24.65 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.64 8.09 70.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.93 56.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -59.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 72' ' ' ALA . 2.8 mt -92.4 169.71 10.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -128.28 154.5 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.2 t -51.48 -46.4 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.14 -38.38 66.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.63 -55.65 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.92 68.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.95 -50.79 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -59.79 -40.87 89.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.52 -37.92 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.37 33.97 4.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -76.85 -30.36 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.6 156.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -121.41 149.04 43.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.35 147.69 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.43 123.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.26 -112.74 2.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 m-20 -102.1 73.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.9 -36.96 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.99 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -53.87 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.695 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.75 -28.86 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.61 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -62.83 -48.27 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.42 -53.95 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.34 -34.98 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -62.41 -39.49 93.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -67.49 -12.97 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.72 HG23 ' CB ' ' A' ' 74' ' ' SER . 4.0 mm -84.89 -55.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -57.78 -33.06 44.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -47.91 -47.2 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -65.27 -32.04 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 7' ' ' ILE . 96.6 mt -70.08 -56.19 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.565 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.31 -45.73 90.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.7 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -38.35 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 10' ' ' ILE . 26.3 t -54.85 -36.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.86 65.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.91 -148.37 13.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.02 146.68 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -122.36 148.45 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -112.44 103.31 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.68 148.29 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.98 124.52 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -96.31 105.71 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 39' ' ' VAL . 9.7 mtpt -72.56 99.17 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' HD22 ' A' ' 67' ' ' LEU . 7.7 t -110.83 164.67 12.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -24.52 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -14.71 45.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 35' ' ' THR . . . 153.04 -127.31 2.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 34' ' ' LYS . 22.6 t -146.57 114.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.91 111.39 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.73 145.0 27.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -141.76 147.59 37.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.1 134.08 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.7 135.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.98 123.11 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.8 mp -74.89 -52.0 12.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -41.73 -66.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -91.81 -169.66 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.6 mm? -119.76 67.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 166.52 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.4 t -146.19 140.0 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.34 158.77 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -104.62 140.7 37.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.96 -158.96 14.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.5 117.67 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.73 146.72 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.89 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.14 76.2 0.73 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 158.38 57.13 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.58 -36.66 60.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.3 t -145.56 151.17 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -122.69 113.75 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -114.2 140.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -124.08 113.54 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.2 p -118.61 149.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.58 148.78 51.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.564 HD22 ' OG1' ' A' ' 35' ' ' THR . 6.9 tp -66.11 -48.62 70.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.94 -43.22 83.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.74 -31.12 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -24.88 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.22 -50.5 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.85 -34.75 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.07 -59.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.72 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -55.74 -24.17 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.1 11.03 63.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 63.23 56.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.51 -58.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.3 mt -91.39 169.95 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -129.4 159.77 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.95 -47.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.18 55.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.565 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.28 -56.83 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.25 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.7 -39.02 84.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -33.46 74.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.29 -40.68 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.22 25.92 7.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.73 -33.31 58.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.635 HG22 HG22 ' A' ' 63' ' ' VAL . 1.8 mt -95.94 114.61 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.24 149.24 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 155.54 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -173.12 157.57 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.89 -104.83 3.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.09 75.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.08 -36.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -47.21 68.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -56.31 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.34 -36.03 60.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.51 -42.17 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -64.63 -44.84 89.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -43.49 92.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.552 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.957 0.408 . . . . 0.0 110.809 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.47 -32.55 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -40.39 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 2' ' ' SER . 56.6 p -66.05 -13.74 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.13 -54.54 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.731 HD13 HD12 ' A' ' 10' ' ' ILE . 16.9 mm -66.09 -28.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.18 -35.9 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -74.43 -34.76 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 HD13 ' A' ' 7' ' ' ILE . 50.3 mt -66.75 -51.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.9 mtmt -63.76 -48.75 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.63 60.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -40.64 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -51.59 -39.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.97 -16.71 68.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.752 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.2 -139.94 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.09 147.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -127.75 143.04 51.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -104.35 102.1 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.626 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.8 mt -88.43 143.71 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.603 HD21 HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -140.46 125.07 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 39' ' ' VAL . 13.3 mm -89.12 149.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 19.3 ttpt -118.2 99.37 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -127.53 166.04 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.32 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -18.83 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.88 -129.51 3.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 33' ' ' ILE . 13.4 t -144.57 116.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.0 114.21 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 143.57 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -142.21 146.77 35.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -116.06 130.27 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -130.83 138.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -114.12 140.26 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.11 -43.53 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.752 ' HD3' HD12 ' A' ' 26' ' ' LEU . 8.0 mtmt -44.46 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -104.11 -168.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.679 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.75 76.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 161.31 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.3 t -145.37 138.28 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.07 159.92 39.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -107.87 138.16 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.67 -154.65 16.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.2 t -110.79 121.58 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.58 146.85 34.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.98 -26.97 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.23 76.17 0.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.07 51.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 -38.08 27.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 97' ' ' LEU . 21.9 t -145.2 151.37 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.603 HG22 HD21 ' A' ' 32' ' ' ASN . 1.7 m -115.79 105.27 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.5 p -100.68 144.68 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -123.15 132.3 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.03 151.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -78.06 155.07 41.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.07 -35.11 80.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -42.1 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.45 -53.75 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mtp -59.53 -38.5 81.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.54 -47.52 57.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -31.1 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.8 mt -77.53 -62.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 p -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 2.94 74.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.6 tttt 64.28 56.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -132.46 -60.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.2 169.89 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.8 p -125.31 156.27 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -51.25 -46.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.31 -43.51 64.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.612 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.98 -54.92 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 88' ' ' LYS . . . -58.31 -33.43 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.66 -49.24 60.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -39.69 89.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -74.73 -39.77 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.71 35.64 3.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -76.81 -33.32 57.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 HG22 ' A' ' 63' ' ' VAL . 1.3 mm -101.23 156.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.76 143.55 41.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.93 153.02 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -174.9 126.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.98 -14.38 26.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER 177.96 102.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.68 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -56.14 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -56.7 -56.38 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -56.39 -29.36 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.15 67.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -60.92 -35.25 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.51 -33.62 54.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.662 HG11 ' OE2' ' A' ' 40' ' ' GLU . 53.4 t -63.3 -36.94 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.52 -36.87 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -68.6 -13.34 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.63 -55.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.57 HD13 HD12 ' A' ' 10' ' ' ILE . 36.8 mm -62.09 -40.14 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.14 -45.4 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.59 84.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 14' ' ' VAL . 98.2 mt -65.77 -53.12 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -64.8 -40.85 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.2 72.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.6 mmt-85 -80.67 -53.85 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 10' ' ' ILE . 10.4 m -48.53 -45.83 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -59.45 -20.04 49.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.112 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.835 0.35 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 163.12 -137.73 4.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.74 148.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.07 150.8 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -111.4 102.88 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.682 HD22 ' CE ' ' A' ' 70' ' ' MET . 4.8 mt -89.12 148.43 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.07 122.92 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.3 mm -98.19 115.07 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' ' 39' ' ' VAL . 6.3 ptmt -72.28 130.75 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 67' ' ' LEU . 19.4 p -135.51 171.46 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.5 -11.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.5 p -105.82 -19.59 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.46 -134.54 3.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.3 t -145.82 117.21 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.662 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.7 mt-10 -81.8 111.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -85.34 147.93 26.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.419 ' CE2' HG13 ' A' ' 7' ' ' ILE . 82.4 m95 -145.08 145.01 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.45 131.7 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.63 140.06 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -113.75 140.03 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -90.49 -45.43 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -43.79 -64.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.97 -168.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -115.61 69.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 164.94 19.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 11' ' ' LYS . 48.3 t -147.15 140.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.21 158.29 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -104.94 139.6 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.82 -158.54 14.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.89 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.03 147.64 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -26.46 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -170.07 76.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.51 56.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD2' HD13 ' A' ' 97' ' ' LEU . 3.1 t0 -73.92 -41.44 62.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -147.75 138.85 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.8 m -101.64 107.66 18.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 89' ' ' ILE . 1.6 p -103.84 143.53 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.3 m -123.2 131.52 53.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 70' ' ' MET . 7.3 p -149.3 150.99 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.46 168.71 53.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.23 -58.52 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -53.15 -52.21 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.87 -53.6 46.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.682 ' CE ' HD22 ' A' ' 31' ' ' LEU . 3.7 tpp -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.2 tm? -61.26 -50.35 73.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.515 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -60.46 -31.72 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.7 mt -77.69 -63.59 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -31.01 62.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.71 1.17 63.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt 65.34 56.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -132.18 -60.05 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.48 169.61 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -121.79 155.19 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.72 -48.36 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.93 -40.23 49.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.687 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.4 -56.93 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.7 72.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.518 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -67.41 -42.61 82.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -65.14 -36.9 85.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.1 -40.29 60.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.38 3.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -91.03 -33.26 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 63' ' ' VAL . 1.7 mt -99.24 113.25 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 149.49 21.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.33 170.77 7.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.529 ' O ' HG13 ' A' ' 61' ' ' VAL . 46.9 t -172.88 149.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.02 -118.86 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.68 67.69 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.72 -36.64 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.46 62.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -59.57 -49.07 79.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -64.9 -27.92 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.46 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -40.84 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.2 mt -77.5 -55.94 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.518 ' HB1' ' HG ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.12 -32.48 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.89 -39.65 94.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 2' ' ' SER . 54.7 p -66.9 -12.93 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 70' ' ' MET . 3.9 mm -84.66 -55.63 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.674 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -54.78 -38.74 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.44 -47.32 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -32.08 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.7 mt -69.51 -55.94 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.585 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -63.7 -46.29 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.82 61.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -79.79 -42.35 24.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 49' ' ' LEU . 28.5 t -52.14 -38.84 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.99 -19.01 78.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.888 0.375 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.431 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 160.62 -136.61 4.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.72 148.88 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE2' HD23 ' A' ' 97' ' ' LEU . 9.0 m-85 -132.5 141.27 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -107.45 100.29 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE ' ' A' ' 70' ' ' MET . 2.3 pp -94.75 147.5 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -131.28 126.85 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.537 HG22 ' HB3' ' A' ' 67' ' ' LEU . 7.9 mm -87.58 105.77 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.05 100.93 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 5.2 t -123.1 161.96 23.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.79 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m -74.07 -19.81 60.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.49 -126.45 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -148.92 114.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.42 111.14 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.02 134.84 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' HG13 ' A' ' 7' ' ' ILE . 73.3 m95 -131.39 148.67 52.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -109.95 131.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -133.27 137.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -111.88 142.93 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -95.62 -44.49 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -43.58 -64.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -104.91 -169.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.757 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.88 71.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 164.76 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 11' ' ' LYS . 39.7 t -147.5 141.55 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.22 159.24 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -106.6 141.82 37.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.98 -154.83 16.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.93 121.94 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.04 146.93 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.77 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -171.44 76.56 0.52 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.23 61.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.29 -42.89 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 97' ' ' LEU . 3.6 t -147.42 152.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -112.71 112.98 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.15 147.7 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -123.27 135.49 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.92 149.89 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.82 146.8 37.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -59.68 -32.23 70.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.08 -55.1 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -53.03 -54.2 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 6' ' ' ILE . 2.3 mmt -50.64 -34.53 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 71' ' ' LEU . 8.8 tt -68.96 -40.76 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.61 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -67.99 -42.73 80.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 mt -74.93 -63.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 6' ' ' ILE . 2.8 p -56.17 -26.71 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.66 5.97 67.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 64.32 56.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.0 -59.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -91.61 169.8 10.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p -121.88 155.55 35.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.6 t -51.23 -45.5 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.02 -43.24 83.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.665 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.4 -54.35 41.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -58.37 -33.93 70.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.4 -49.48 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.62 -40.95 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.65 -37.64 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.03 28.97 7.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -76.93 -32.74 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.415 HG13 ' HB1' ' A' ' 83' ' ' ALA . 9.2 mt -106.01 113.56 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -92.57 146.13 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.004 HD22 ' HB1' ' A' ' 98' ' ' ALA . 11.0 mt -119.31 141.08 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -160.6 140.66 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.17 143.17 3.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.464 ' CB ' HG22 ' A' ' 61' ' ' VAL . 1.1 t0 42.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.18 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -56.59 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -58.24 -49.75 76.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 1.004 ' HB1' HD22 ' A' ' 91' ' ' LEU . . . -56.57 -28.66 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.5 74.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.99 -44.25 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 29' ' ' PHE . 48.2 mt -54.88 -44.71 74.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.89 -35.34 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -38.54 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 m -66.89 -13.25 61.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 71' ' ' LEU . 4.0 mm -84.4 -55.11 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 10' ' ' ILE . 32.8 mm -66.67 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -42.45 22.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.72 -37.64 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.8 mt -64.23 -52.94 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.71 -41.47 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.03 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -81.26 -54.79 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.0 m -46.75 -45.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -50.4 -28.54 14.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.1 pp . . . . . 0 C--O 1.23 0.032 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.73 -159.45 30.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.13 150.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.91 153.01 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -117.98 105.19 11.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.688 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.9 mt -92.87 147.82 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.51 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -142.34 130.94 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.658 HG21 HD23 ' A' ' 67' ' ' LEU . 10.1 mm -92.45 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.5 107.66 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 38' ' ' GLY . 8.9 t -133.83 166.85 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.51 -23.87 65.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -19.3 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.515 ' H ' HG23 ' A' ' 35' ' ' THR . . . 151.23 -126.61 2.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 33' ' ' ILE . 21.0 t -147.62 115.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 112.02 17.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -89.87 137.94 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 80.0 m95 -136.72 138.8 41.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -104.76 130.52 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.72 139.05 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.39 125.92 53.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.6 mp -75.77 -49.69 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD12 ' A' ' 26' ' ' LEU . 12.8 mtmt -40.76 -64.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -101.96 -178.26 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 49' ' ' LEU . 1.8 mm? -107.75 64.73 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 162.39 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 11' ' ' LYS . 40.8 t -145.59 136.95 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.01 157.84 44.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -104.13 137.52 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.21 -156.34 15.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.97 118.38 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.68 147.47 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -27.17 66.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.33 74.9 0.85 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.717 0.77 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.69 158.7 56.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.396 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.42 -37.24 52.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 98' ' ' ALA . 10.7 t -143.39 151.11 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 HD21 ' A' ' 32' ' ' ASN . 2.3 m -123.48 103.66 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.688 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.1 p -101.86 144.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.79 125.48 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' A' ' 89' ' ' ILE . 3.6 m -143.81 169.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.36 172.99 33.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.658 HD23 HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -65.25 -47.58 76.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.949 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -57.48 12.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.41 -53.6 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.417 ' HG3' HG21 ' A' ' 6' ' ' ILE . 3.9 tpt -57.34 -26.08 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' A' ' 6' ' ' ILE . 6.6 tt -73.03 -42.41 63.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.612 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.56 -37.1 84.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.38 -62.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.449 ' HB3' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -55.71 -33.17 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.44 -1.33 70.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 56.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.66 -61.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.47 170.02 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.9 p -118.32 154.75 31.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.784 HG21 ' HG ' ' A' ' 101' ' ' LEU . 72.0 t -49.84 -47.37 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.0 -43.53 61.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.745 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.8 -56.13 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -57.22 -34.18 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.31 -44.51 79.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -61.86 -34.61 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.15 -42.05 66.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.41 20.58 13.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -78.16 -33.47 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.694 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.2 mt -86.91 145.46 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -120.55 147.5 45.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.72 145.68 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.58 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.76 -104.77 0.64 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.75 78.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.51 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -58.94 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.825 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.86 -27.65 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.96 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -51.67 -29.18 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.784 ' HG ' HG21 ' A' ' 80' ' ' VAL . 5.5 tp -76.39 -52.31 10.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.914 0.388 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.58 -37.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -66.45 -13.69 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 10' ' ' ILE . 30.1 mm -62.67 -38.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -46.87 -45.07 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -65.17 -32.86 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.5 mt -69.28 -45.22 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.642 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.2 mtmt -71.32 -41.85 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -80.94 -55.1 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.5 m -46.96 -45.95 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -52.61 -28.55 30.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.675 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.859 0.362 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -176.69 -147.36 6.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.79 151.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' HD23 ' A' ' 97' ' ' LEU . 7.6 m-85 -138.43 151.07 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -110.33 103.32 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.0 mt -90.14 147.92 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.493 HD21 HG22 ' A' ' 62' ' ' THR . 1.5 m-20 -140.7 126.81 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.8 mm -94.99 109.34 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -71.86 118.0 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.723 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.4 t -135.66 158.22 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.99 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.22 -13.99 48.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.09 -128.5 2.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.26 116.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 111.25 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.88 144.11 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -142.5 147.12 35.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.18 128.83 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.72 141.47 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.67 140.98 49.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -92.77 -40.51 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 26' ' ' LEU . 9.1 mtmt -43.7 -64.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.82 -167.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 14' ' ' VAL . 2.8 mm? -111.07 70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 160.68 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG21 ' HG2' ' A' ' 11' ' ' LYS . 69.2 t -145.49 135.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.46 155.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -103.2 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.11 -158.46 14.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.95 117.83 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.4 147.29 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -25.58 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 t -170.64 75.49 0.58 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.699 0.762 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.52 62.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.55 -44.66 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 97' ' ' LEU . 2.8 t -147.23 152.06 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.493 HG22 HD21 ' A' ' 32' ' ' ASN . 1.8 m -110.09 114.42 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 31' ' ' LEU . 3.6 p -109.06 148.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -122.8 134.18 54.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG21 ' HG2' ' A' ' 70' ' ' MET . 7.4 p -150.34 150.12 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.15 167.13 53.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -65.63 -62.04 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.47 -57.95 8.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.529 ' HG2' HG21 ' A' ' 65' ' ' VAL . 1.2 mmm -62.91 -34.73 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 71' ' ' LEU . 9.4 tt -54.6 -37.52 65.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -73.43 -35.31 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.02 -63.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -30.86 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.09 -1.1 67.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt 64.78 56.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.9 m -131.65 -60.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -86.74 169.51 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 p -118.27 151.94 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.8 m -50.84 -36.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.16 94.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.666 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -59.52 -50.55 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -60.58 -33.75 73.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.52 -51.27 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -59.83 -43.54 94.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -71.03 -35.3 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 31.56 7.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.41 -33.35 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 83' ' ' ALA . 8.0 mt -107.83 110.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.67 148.35 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 165.88 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.34 110.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.92 148.55 24.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.414 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER 40.58 82.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.95 71.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.34 -54.68 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.54 -56.64 16.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.08 -28.83 26.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -73.61 -30.54 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -53.06 -51.42 61.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 90.4 mt -55.08 -22.52 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -53.62 -39.3 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -70.79 -13.84 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 74' ' ' SER . 4.0 mm -84.5 -55.23 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 10' ' ' ILE . 34.9 mm -63.38 -32.77 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -47.12 -41.52 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -71.03 -36.04 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.806 HD12 HD13 ' A' ' 7' ' ' ILE . 86.5 mt -65.43 -52.08 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -64.2 -41.21 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.37 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.05 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.44 -51.4 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.8 m -51.4 -43.31 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.38 -8.04 42.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.817 0.341 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.22 -153.12 22.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.91 149.35 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.91 159.11 33.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -125.11 105.54 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.5 mt -94.92 147.84 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.21 125.71 20.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.8 mm -96.02 98.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.2 tttp -72.18 99.8 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . 16.3 p -108.77 -178.59 3.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.3 -22.6 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -22.34 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.65 -132.43 2.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.2 t -144.56 114.8 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 110.84 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.15 142.62 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -138.98 146.03 40.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.15 134.14 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.46 137.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -111.42 125.35 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 46' ' ' LEU . 7.0 mp -72.91 -51.29 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.12 -66.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.65 ' C ' HD22 ' A' ' 49' ' ' LEU . 29.0 mt-30 -95.75 -167.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.0 mm? -120.97 64.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.48 164.74 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 ' HG2' ' A' ' 11' ' ' LYS . 54.9 t -146.25 129.46 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.81 157.75 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -103.2 135.36 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.87 -159.54 16.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -114.33 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.78 147.15 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.4 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.46 76.03 0.83 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.678 0.751 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.42 53.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -77.05 -35.1 57.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.796 HG11 ' HB2' ' A' ' 98' ' ' ALA . 16.8 t -145.02 151.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -126.99 100.8 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.6 p -100.59 142.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -123.58 127.58 48.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 89' ' ' ILE . 3.0 m -141.25 165.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.65 138.91 14.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -49.61 -31.73 11.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -71.24 -41.23 70.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.66 -55.47 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.92 -33.87 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 71' ' ' LEU . 10.2 tt -53.09 -40.7 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -71.63 -31.36 66.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.24 -61.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.412 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.51 3.43 73.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 63.82 56.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.8 m -138.34 -58.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.8 mt -88.62 169.87 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -129.12 153.91 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -50.78 -47.29 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.83 61.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.504 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -64.46 -56.86 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.88 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.6 -50.43 44.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.33 -40.42 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.57 -39.21 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.97 27.5 8.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -76.8 -31.37 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.727 ' HA ' HG12 ' A' ' 65' ' ' VAL . 12.4 mt -86.47 126.85 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -92.79 147.89 22.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.03 143.89 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -173.25 137.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.01 -104.93 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.22 78.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -37.28 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -47.18 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -52.79 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.796 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.14 -28.98 28.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.35 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -42.68 66.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.54 -38.71 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.734 ' O ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.912 0.387 . . . . 0.0 110.82 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.507 HG22 HG21 ' A' ' 33' ' ' ILE . 75.4 t -71.3 -29.14 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.75 -44.66 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 2' ' ' SER . 3.9 t -62.93 -14.08 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.596 HD13 HG23 ' A' ' 5' ' ' THR . 4.3 mm -83.37 -52.95 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.476 HG22 ' HG3' ' A' ' 11' ' ' LYS . 25.8 mm -73.91 -34.11 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -46.16 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -68.75 -32.28 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.3 mt -68.14 -55.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.97 -49.2 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.44 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -80.88 -44.07 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ILE . 74.5 t -47.96 -42.43 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.9 -28.22 39.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.369 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.89 -141.41 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.85 145.67 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 22.6 m-85 -124.74 158.94 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -118.88 100.23 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.7 mt -85.75 147.36 26.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.69 128.78 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.593 HG21 HD23 ' A' ' 67' ' ' LEU . 4.5 mm -94.43 161.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 12.5 tttt -117.64 106.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.9 t -131.62 169.44 16.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.81 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -17.71 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 35' ' ' THR . . . 148.98 -125.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.8 t -146.98 114.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' HG21 ' A' ' 3' ' ' VAL . 8.1 mp0 -77.97 111.77 14.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.13 134.8 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -132.34 148.07 52.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 mt -112.81 129.78 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 29' ' ' PHE . 2.3 p -131.84 139.63 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -113.45 142.91 45.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -96.18 -43.17 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.3 mtmt -44.44 -64.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -105.07 -167.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -113.0 76.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.58 34.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 11' ' ' LYS . 24.8 t -147.84 142.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.72 160.81 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -106.53 140.68 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.42 -155.74 16.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.8 t -111.14 120.66 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.04 143.9 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.15 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -172.15 78.99 0.47 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.9 48.01 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -85.53 -36.58 20.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 98' ' ' ALA . 36.8 t -147.87 139.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 m -107.67 126.44 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.661 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -122.2 144.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.96 131.99 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.4 p -149.99 150.58 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -88.0 169.87 38.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -65.35 -54.26 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.925 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.24 -51.76 31.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.01 -54.03 41.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.52 -24.5 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' O ' HD13 ' A' ' 71' ' ' LEU . 0.9 OUTLIER -61.03 -51.44 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -59.37 -29.39 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -79.65 -63.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -56.33 -29.47 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.13 -0.86 66.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 64.75 56.83 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.5 m -133.67 -59.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -89.19 169.66 11.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -118.29 149.7 40.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.0 t -49.6 -42.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.85 95.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.646 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.01 -53.11 59.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.94 69.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 102' ' ' ALA . 8.1 tp -68.64 -45.7 71.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -62.05 -37.85 86.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.22 -41.89 73.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.77 26.97 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.77 -33.39 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 63' ' ' VAL . 1.9 mt -99.8 115.37 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -92.03 148.62 22.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 98' ' ' ALA . 7.0 mt -111.87 171.37 7.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -172.53 133.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.03 -117.71 5.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 67.48 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.326 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.44 -37.14 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -51.52 -48.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -54.87 -59.65 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -59.03 -28.98 66.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -57.99 -39.83 79.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -63.27 -32.04 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -46.56 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.671 HG11 ' OE1' ' A' ' 40' ' ' GLU . 52.9 t -52.57 -37.99 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.74 -38.86 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 m -67.47 -13.4 62.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mm -84.72 -55.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 HD12 ' A' ' 10' ' ' ILE . 33.6 mm -64.81 -35.99 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.47 -46.12 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.44 -32.88 73.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.6 mt -68.43 -56.02 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.4 -44.66 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -41.89 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -31.36 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -64.68 -37.09 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.01 -7.31 81.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' LYS . . . -171.69 -142.33 3.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -146.29 149.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HE2' HD23 ' A' ' 97' ' ' LEU . 6.3 m-85 -134.26 144.57 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -108.86 101.84 10.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -98.1 142.36 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.04 125.32 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 mm -84.13 152.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -118.26 99.13 6.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 67' ' ' LEU . 11.2 p -109.63 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -20.52 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.36 -129.29 2.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' ILE . 18.1 t -144.7 118.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.671 ' OE1' HG11 ' A' ' 3' ' ' VAL . 8.0 mt-10 -91.92 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -85.48 142.57 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.9 m95 -139.83 147.42 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -112.97 129.0 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.48 139.59 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.99 141.23 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 -40.4 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.66 ' HD3' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -44.7 -63.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -110.19 -175.67 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -102.91 76.43 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.92 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.7 t -145.7 141.74 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -106.87 144.0 34.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.24 -157.03 15.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.5 p -112.52 118.46 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.7 148.52 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.8 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -167.8 74.45 0.93 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.34 57.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.35 -42.7 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 97' ' ' LEU . 8.7 t -147.99 152.25 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 m -111.58 111.67 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -108.51 146.21 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -123.9 140.5 52.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.7 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -145.61 169.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.12 149.78 20.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 35' ' ' THR . 7.4 tp -58.13 -42.27 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.32 -40.44 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.41 -58.42 6.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -24.41 39.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -48.2 65.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.703 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.98 -39.61 95.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -74.83 -63.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -56.29 -25.84 49.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.65 4.41 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 64.24 56.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.72 -58.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.49 169.92 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.8 p -127.12 156.51 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.9 t -51.14 -47.15 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.88 -44.09 61.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.2 -55.15 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -33.49 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.14 -49.06 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.91 -39.88 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.97 30.7 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.82 -33.48 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.303 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.7 HG23 ' CG1' ' A' ' 65' ' ' VAL . 11.1 mt -96.53 119.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -95.92 147.56 23.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.16 159.46 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.23 111.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.3 146.03 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.496 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER 42.29 86.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.26 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -56.41 5.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -53.83 -53.51 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 -30.3 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.84 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.4 -51.26 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 tp -56.75 -28.93 62.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.765 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.727 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.739 HG21 ' OE2' ' A' ' 40' ' ' GLU . 69.3 t -49.39 -29.57 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -65.88 -11.88 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.5 HG23 ' CB ' ' A' ' 74' ' ' SER . 5.1 mm -83.34 -55.17 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.623 HG23 HG11 ' A' ' 51' ' ' VAL . 30.6 mm -59.99 -42.63 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -47.46 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -33.05 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 14' ' ' VAL . 95.7 mt -70.56 -43.71 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.6 mtmt -71.75 -42.11 67.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.59 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -80.83 -55.27 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 10' ' ' ILE . 8.5 m -46.65 -46.31 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.73 -29.23 25.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.6 pt? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.81 0.338 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.54 -135.03 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.1 150.46 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.13 153.99 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -120.08 101.89 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.3 pp -98.32 145.01 27.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -126.43 128.96 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 31' ' ' LEU . 8.7 mm -94.46 107.15 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -74.41 99.14 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.805 HG22 HD13 ' A' ' 67' ' ' LEU . 13.2 p -101.15 169.67 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.44 -4.42 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -112.0 -18.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.86 -134.19 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -146.19 114.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.739 ' OE2' HG21 ' A' ' 3' ' ' VAL . 3.8 mt-10 -89.18 111.77 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.69 142.03 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -138.82 144.86 39.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.4 mt -107.65 137.76 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.84 138.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.98 138.34 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -45.39 10.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.2 mttt -44.31 -64.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.65 -168.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.88 69.73 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 166.08 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 11' ' ' LYS . 77.3 t -144.84 137.72 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.1 157.48 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -104.31 139.99 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.15 -159.21 14.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.05 116.46 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.47 147.63 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -28.98 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.63 75.89 0.95 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.21 61.2 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.06 -42.61 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 92' ' ' SER . 19.2 t -148.25 144.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.3 m -110.3 113.59 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 89' ' ' ILE . 2.1 p -110.23 143.99 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.44 134.29 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.5 p -144.97 149.13 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 151.32 42.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.805 HD13 HG22 ' A' ' 35' ' ' THR . 7.1 tp -66.16 -43.67 86.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.03 -45.65 66.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.06 -56.08 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 tpp -55.14 -37.7 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -54.35 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.946 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.93 -32.41 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -75.85 -62.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.5 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -56.64 -22.06 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.74 9.38 65.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.83 56.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -57.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.946 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.6 mt -87.46 169.41 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.83 157.06 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -55.06 -30.36 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.9 -46.54 81.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -58.33 -46.43 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -66.12 -34.68 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -70.67 -50.49 36.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -44.05 92.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.75 -39.0 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 31.36 5.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.87 -33.28 57.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' VAL . 1.2 mt -99.12 119.18 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -92.3 149.27 21.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 163.58 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.8 t -173.09 159.78 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.2 -115.12 5.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -90.35 69.61 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.806 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -36.56 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -52.17 -47.54 65.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CB ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -59.49 -53.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -29.83 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.64 -30.71 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -28.55 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.2 -55.65 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.455 ' HB1' ' HG ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.33 -32.75 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.19 -40.28 97.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -66.17 -13.39 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.7 mm -84.7 -54.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 10' ' ' ILE . 22.6 mm -68.96 -31.44 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -45.21 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -63.23 -34.99 78.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.862 ' O ' HG22 ' A' ' 14' ' ' VAL . 45.0 mt -66.98 -50.31 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -63.35 -42.86 98.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.16 75.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -78.26 -56.55 4.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.5 m -52.92 -45.62 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.19 -12.08 79.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.832 0.349 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.57 -148.57 19.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 t -143.41 149.04 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.74 157.17 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -125.18 105.44 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.733 HD23 ' CG1' ' A' ' 63' ' ' VAL . 11.7 mt -94.01 148.35 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.557 HD21 HG22 ' A' ' 62' ' ' THR . 2.4 m-20 -139.96 126.24 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.612 HG22 ' HB3' ' A' ' 67' ' ' LEU . 3.9 mm -95.5 100.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -72.58 100.08 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . 15.0 p -109.99 -179.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.1 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -21.62 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.26 -133.89 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.8 t -144.5 114.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -84.7 110.62 18.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.73 141.71 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -138.03 146.79 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.66 134.99 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -137.46 134.67 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -105.4 128.4 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 46' ' ' LEU . 7.7 mp -73.9 -56.38 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -41.89 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -89.76 174.47 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.6 mm? -107.37 67.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.39 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 11' ' ' LYS . 55.3 t -145.3 134.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.53 157.12 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.94 135.79 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 -159.46 15.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.42 117.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -53.0 147.94 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.86 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.51 74.57 1.15 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.7 52.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -75.46 -35.75 60.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.804 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.3 t -145.59 151.38 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.557 HG22 HD21 ' A' ' 32' ' ' ASN . 1.9 m -126.48 105.67 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.733 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -106.24 139.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -124.82 114.29 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 89' ' ' ILE . 4.1 t -128.38 160.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -76.46 148.14 35.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -65.35 -33.87 76.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.13 -55.0 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.43 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 1.2 t0 -52.56 -53.59 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 11.2 tpp -59.3 -30.95 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tt -54.9 -55.82 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -55.18 -29.4 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.0 mt -76.89 -59.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.704 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -56.08 -24.47 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.81 5.64 74.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.04 56.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -139.44 -58.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.91 169.82 10.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -127.91 160.32 32.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.7 t -54.29 -47.34 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.68 -42.69 59.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.25 -55.46 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -58.26 -34.33 70.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.1 tp -67.72 -40.79 84.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -64.97 -32.45 74.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.92 -43.02 72.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.42 20.1 12.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -76.81 -33.7 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.3 mp -80.3 113.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -92.13 145.63 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.44 148.8 32.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.09 119.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.31 -104.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.94 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.95 -37.15 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -46.82 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -53.08 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.804 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.76 -29.69 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.27 88.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.88 70.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.48 -44.99 56.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.803 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.724 ' O ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.751 HG21 ' OE1' ' A' ' 40' ' ' GLU . 69.7 t -49.45 -29.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -42.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -66.12 -11.66 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 5' ' ' THR . 5.2 mm -83.52 -55.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' ILE . 27.6 mm -56.15 -43.0 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -47.35 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -33.25 75.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.867 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.7 mt -69.19 -53.55 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.72 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.8 mtmt -62.21 -49.5 75.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.23 -33.95 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -78.9 -46.49 18.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 10' ' ' ILE . 39.9 t -49.56 -45.02 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.16 -21.48 61.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.85 0.357 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.13 -138.54 3.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -144.96 151.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CE1' HD23 ' A' ' 97' ' ' LEU . 11.5 m-85 -134.54 144.8 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -112.42 101.88 10.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.69 147.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' HB2' HG23 ' A' ' 64' ' ' THR . 4.6 m-20 -129.87 130.24 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.586 HG22 ' HB3' ' A' ' 67' ' ' LEU . 6.3 mm -92.93 102.86 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 103.09 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.0 t -122.66 166.97 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.02 73.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -72.91 -17.84 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.95 -126.15 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.93 114.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.751 ' OE1' HG21 ' A' ' 3' ' ' VAL . 2.3 mt-10 -89.33 111.05 21.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.41 134.78 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 78.5 m95 -131.86 146.9 52.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.2 mt -109.84 131.55 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.13 139.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.68 140.4 49.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.08 -44.17 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -63.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -107.12 -175.97 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.735 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -106.6 74.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 162.13 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 11' ' ' LYS . 63.6 t -145.23 139.9 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.73 38.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -108.94 141.47 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.94 -153.71 17.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.03 121.46 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 4.9 t80 -57.34 149.11 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.23 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -169.19 74.67 0.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.674 0.75 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.1 Cg_endo -69.78 155.32 66.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.46 -43.71 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.73 149.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -112.04 99.21 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.82 147.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -124.1 136.32 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 89' ' ' ILE . 3.9 p -151.7 149.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.43 149.95 47.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -65.35 -34.0 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.35 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.45 -49.94 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.491 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.61 -41.6 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.93 -40.55 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -44.35 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.2 mt -74.67 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 t -55.76 -24.51 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 9.95 65.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 63.31 56.57 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.56 -59.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.7 mt -94.62 169.95 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.8 p -124.01 149.39 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.1 t -49.14 -43.3 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.07 92.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -64.89 -53.93 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.75 -34.07 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -67.62 -46.51 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -61.5 -38.77 88.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -72.47 -40.17 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.83 9.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -76.81 -32.48 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.509 HD13 HG23 ' A' ' 65' ' ' VAL . 8.3 mm -83.08 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -109.07 149.81 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.75 172.08 7.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.3 -164.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.98 -171.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 43.4 68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.65 -38.01 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -52.5 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -59.0 -58.23 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.25 -41.1 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.61 -28.11 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.3 -38.06 43.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.796 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.61 -37.39 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.79 95.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -65.83 -14.48 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.635 HG23 ' OG ' ' A' ' 74' ' ' SER . 3.8 mm -84.38 -54.17 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 10' ' ' ILE . 23.8 mm -72.86 -31.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.19 -43.98 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -65.06 -33.98 77.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.847 ' O ' HG22 ' A' ' 14' ' ' VAL . 74.4 mt -66.8 -49.24 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 1.5 mtmt -63.4 -42.44 98.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.27 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -79.72 -55.19 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 10' ' ' ILE . 6.7 m -52.07 -44.99 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.73 -13.09 68.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.62 -153.43 25.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 44' ' ' VAL . 4.1 t -144.63 144.52 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 22.9 m-30 -121.28 162.49 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -124.86 100.84 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.8 mm? -84.73 147.85 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.91 124.96 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.0 mm -87.85 149.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 98.99 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.486 ' HB ' HD13 ' A' ' 67' ' ' LEU . 6.3 t -130.49 164.54 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -29.78 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -72.93 -16.95 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.55 -127.83 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 33' ' ' ILE . 17.9 t -149.99 116.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.5 112.29 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.45 139.2 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -137.19 143.03 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.0 135.99 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.5 p -137.23 138.66 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.88 131.13 55.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.733 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 7.0 mp -75.96 -57.23 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.91 -66.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -92.73 174.14 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -107.91 69.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.73 164.9 21.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 11' ' ' LYS . 53.4 t -145.54 131.38 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.76 156.32 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.52 132.9 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.35 -154.71 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.3 p -115.7 121.07 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.34 146.01 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.78 67.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -167.86 75.04 0.92 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.65 52.66 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.11 -28.85 23.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.6 t -146.08 152.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -129.19 109.35 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 31' ' ' LEU . 2.2 p -113.01 144.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -123.48 137.2 54.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.7 p -150.56 150.38 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.35 153.4 52.91 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 35' ' ' THR . 2.5 pt? -65.42 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.58 -43.42 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.6 -57.4 10.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 6' ' ' ILE . 3.9 mmt -58.43 -29.39 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -56.56 -52.54 64.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.03 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.5 mt -76.11 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.635 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.9 p -56.34 -27.6 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.0 3.74 78.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.45 56.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -131.77 -60.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.3 mt -92.32 169.57 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.5 p -122.55 153.88 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -51.78 -41.8 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.13 -40.29 95.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.64 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.75 -54.12 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -34.02 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 84' ' ' LEU . 8.0 tp -69.02 -49.23 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.19 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.69 -41.01 79.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.54 28.36 7.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.9 -33.53 57.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 65' ' ' VAL . 2.5 mt -92.24 123.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.9 149.16 21.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.87 150.04 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -173.23 138.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.8 -105.14 2.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.07 77.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.97 -38.45 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.1 t0 -56.85 -49.3 75.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -58.55 -58.76 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -57.18 -29.0 63.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.72 -34.77 40.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -29.31 24.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.403 HD11 ' CD2' ' A' ' 29' ' ' PHE . 53.1 mt -76.35 -55.28 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.81 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.569 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.535 HG21 ' CD ' ' A' ' 40' ' ' GLU . 75.3 t -67.97 -32.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.32 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 2' ' ' SER . 52.9 p -67.18 -12.75 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.8 mm -85.02 -55.48 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.522 HD13 HD12 ' A' ' 10' ' ' ILE . 25.9 mm -62.4 -33.91 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.59 -46.86 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -35.02 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.818 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.6 mt -67.54 -54.07 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.0 mtmt -62.34 -46.8 87.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.48 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.26 -29.69 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.2 t -66.38 -38.39 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.61 -9.06 82.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.106 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' O ' HD13 ' A' ' 46' ' ' LEU . . . 146.29 129.6 2.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.55 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 t -62.25 148.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.5 149.42 51.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -111.4 101.29 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.5 mm? -84.81 145.74 27.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.1 127.09 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.681 HG21 HD23 ' A' ' 67' ' ' LEU . 4.4 mm -93.68 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -117.61 108.23 15.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.0 t -133.2 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.03 64.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -18.26 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.08 -125.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 33' ' ' ILE . 24.4 t -147.94 114.59 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 3' ' ' VAL . 5.9 mp0 -77.12 111.81 13.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.08 137.8 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -135.04 151.28 50.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.47 131.38 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.51 137.79 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.97 108.23 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 27' ' ' GLY . 9.7 mp -64.58 -55.65 19.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.18 -64.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.561 ' C ' HD22 ' A' ' 49' ' ' LEU . 33.0 mt-30 -88.71 -169.81 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.1 mm? -122.75 75.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 166.5 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.1 t -146.21 139.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.16 159.76 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.41 140.71 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.17 -155.91 15.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -112.99 121.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.57 143.88 49.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.64 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 t -170.13 78.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 161.65 45.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' HD13 ' A' ' 97' ' ' LEU . 6.6 t0 -83.66 -33.69 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 98' ' ' ALA . 21.8 t -146.87 151.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 m -121.09 100.48 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.528 ' CG1' HD13 ' A' ' 31' ' ' LEU . 1.9 p -97.66 142.82 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 125.98 46.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 89' ' ' ILE . 2.3 m -142.98 169.19 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.38 172.47 23.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -64.95 -56.09 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.68 -47.56 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -52.8 -56.07 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 6' ' ' ILE . 1.8 mtt -66.02 -24.11 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.44 -43.33 99.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.693 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -68.79 -33.53 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.34 -63.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.615 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.05 -28.75 58.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.07 -0.83 66.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.03 56.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.1 m -135.83 -58.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 72' ' ' ALA . 4.1 mt -88.48 169.92 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.26 157.88 32.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.35 -27.96 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.81 -43.55 58.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.597 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -61.23 -49.46 77.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.47 72.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.36 -49.97 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -60.41 -40.93 92.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -74.41 -35.61 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.26 6.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.65 -32.26 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.625 ' HA ' HG12 ' A' ' 65' ' ' VAL . 5.3 mm -88.37 154.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.4 148.91 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.6 142.02 47.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.8 110.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.78 -104.83 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.58 79.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.7 -37.56 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -48.45 62.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.438 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -69.63 -49.3 55.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.68 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.53 -28.8 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.95 74.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -55.68 -43.8 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -41.14 97.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.4 112.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.33 -36.7 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -61.23 -41.37 96.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -65.86 -13.65 60.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.609 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.61 -54.85 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.633 HD13 HD12 ' A' ' 10' ' ' ILE . 30.2 mm -63.87 -37.62 80.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.52 -46.16 27.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -63.26 -32.74 74.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 14' ' ' VAL . 89.4 mt -68.86 -46.82 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.8 -30.15 69.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.4 OUTLIER -81.54 -50.47 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 10' ' ' ILE . 13.3 m -51.84 -43.42 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.37 -7.19 51.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.78 -20.29 7.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' ARG . 2.8 p -75.38 163.52 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.44 159.41 29.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.587 0.708 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -39.28 6.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -73.06 -14.07 61.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.57 -67.36 1.81 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 179.63 3.56 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.621 2.214 . . . . 0.0 112.384 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -68.63 164.28 21.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.32 88.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -151.29 173.15 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? -173.45 121.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 175.89 -139.54 4.69 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -147.21 144.79 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -124.87 153.51 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -113.14 104.09 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.711 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.9 mt -90.91 147.55 23.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.405 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -141.98 125.85 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.544 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.9 mm -95.51 109.2 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.04 116.82 10.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -134.1 157.17 46.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.17 -23.28 67.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.0 m -86.62 -14.16 43.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.85 -128.17 2.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.4 t -152.6 116.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.01 111.15 19.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.66 147.0 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CE2' HG13 ' A' ' 7' ' ' ILE . 76.6 m95 -145.43 147.48 32.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -111.67 132.0 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 p -133.08 137.19 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -110.04 138.29 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -89.77 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HD3' HD12 ' A' ' 26' ' ' LEU . 15.1 mttt -44.04 -64.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.651 ' C ' HD22 ' A' ' 49' ' ' LEU . 2.3 mm-40 -101.91 -166.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD22 ' C ' ' A' ' 48' ' ' GLN . 2.8 mm? -118.22 73.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 166.55 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG21 ' HG2' ' A' ' 11' ' ' LYS . 74.7 t -145.04 135.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.83 155.82 49.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -103.8 140.53 37.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.93 -160.23 13.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.2 p -113.63 116.32 52.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -53.18 145.7 13.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.01 -27.84 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -170.24 77.47 0.62 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.59 59.85 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.2 m-20 -73.52 -37.86 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.705 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.8 t -146.1 151.41 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.405 HG22 HD21 ' A' ' 32' ' ' ASN . 5.2 m -119.64 113.3 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.711 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -111.96 139.11 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 m -124.73 113.98 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.16 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' A' ' 89' ' ' ILE . 3.4 t -128.28 161.32 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -80.42 164.67 47.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.98 -53.33 40.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -48.84 -50.59 33.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.63 -56.33 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.609 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -54.18 -26.53 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -48.93 60.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.686 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.22 -39.45 92.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.1 mt -74.64 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.491 ' CB ' HG23 ' A' ' 6' ' ' ILE . 2.6 t -55.71 -29.11 58.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.39 -0.6 72.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.98 56.7 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.7 m -134.43 -59.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.686 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -85.22 169.56 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.7 p -117.41 151.58 36.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -50.47 -41.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.62 -41.55 98.9 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.681 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -62.62 -53.38 55.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.98 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 tp -68.17 -43.89 77.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -62.57 -35.81 80.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -69.85 -41.52 74.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 21.94 11.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -76.75 -33.07 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.734 ' HA ' HG22 ' A' ' 65' ' ' VAL . 16.4 mt -90.69 110.58 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -94.8 142.31 27.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.0 158.23 18.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.0 t -173.91 123.81 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.51 -110.97 2.14 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -99.99 73.99 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.65 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.53 -47.72 63.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -66.59 -48.74 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.705 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -58.98 -28.26 66.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.78 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -30.57 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.532 ' O ' HG12 ' A' ' 104' ' ' VAL . 41.6 mt -71.32 -55.43 8.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.477 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -54.8 -30.19 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.82 -28.64 23.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 101' ' ' LEU . 9.3 p -57.88 -21.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 102' ' ' ALA . 11.2 tp -57.44 -24.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.25 160.2 13.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -117.51 77.89 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -95.11 172.5 8.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -51.76 15.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.74 140.25 42.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.33 125.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.484 HG21 ' OE1' ' A' ' 40' ' ' GLU . 75.0 t -56.02 -28.51 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.22 -43.44 91.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.546 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.9 m -64.39 -13.68 52.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.68 -54.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.664 HD13 HD12 ' A' ' 10' ' ' ILE . 33.3 mm -68.67 -36.96 76.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.97 -43.68 29.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.546 ' NH1' HG22 ' A' ' 5' ' ' THR . 3.0 mpt_? -70.49 -32.7 70.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.711 ' O ' HG23 ' A' ' 14' ' ' VAL . 72.8 mt -68.82 -55.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.22 -45.49 91.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.97 -42.39 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.086 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.767 ' O ' HG23 ' A' ' 17' ' ' VAL . 42.0 mmm-85 -80.31 -40.97 25.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.721 HG12 ' HB3' ' A' ' 49' ' ' LEU . 24.6 t -50.55 -37.15 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.21 -24.19 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.98 -30.62 8.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.8 t -48.91 145.58 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.95 157.96 56.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.617 0.723 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -35.94 11.77 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.382 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -68.55 -24.26 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 48.35 -165.53 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.98 37.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.291 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -141.44 146.64 36.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -66.79 86.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.464 HG11 ' HG3' ' A' ' 100' ' ' LYS . 31.2 m -152.94 173.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -174.52 123.82 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.43 -135.83 2.32 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -144.73 148.32 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.36 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -127.93 150.52 49.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -113.0 103.74 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -91.93 148.29 22.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.9 125.45 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' CG2' HD23 ' A' ' 67' ' ' LEU . 4.3 mm -95.6 106.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -72.73 110.34 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 67' ' ' LEU . 15.1 t -126.56 170.79 11.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.12 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -14.32 56.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.41 -125.39 1.93 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -149.53 115.01 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 4.9 mt-10 -84.08 110.81 18.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -86.35 144.54 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -141.55 146.36 36.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -111.75 129.93 66.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -132.28 138.15 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -112.12 139.45 47.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.52 -42.87 9.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -44.78 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.475 ' C ' HD13 ' A' ' 49' ' ' LEU . 28.0 mt-30 -103.5 -167.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.721 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -113.99 71.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.49 160.79 36.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 11' ' ' LYS . 42.3 t -145.87 141.21 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.71 160.0 40.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -105.03 142.01 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.14 -158.06 14.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.83 118.23 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.177 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -54.19 146.93 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.9 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -169.57 76.07 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.625 0.726 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.45 53.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.727 2.285 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.56 -36.25 52.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.8 t -145.82 151.54 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.3 m -126.03 109.13 12.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 89' ' ' ILE . 1.5 p -112.41 144.35 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.2 m -122.98 133.5 54.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.525 ' HB ' HG23 ' A' ' 89' ' ' ILE . 6.9 p -149.74 150.81 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.15 165.82 54.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -66.47 -52.55 45.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -48.52 -55.66 10.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -52.29 -53.62 41.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.522 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.71 -39.52 74.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 tt -50.43 -50.98 50.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -58.82 -33.05 69.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.067 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.2 mt -75.29 -62.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 p -55.87 -30.48 61.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.29 0.41 74.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 64.1 56.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.14 -60.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -92.09 169.86 10.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.2 p -120.06 153.71 35.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.1 m -51.16 -41.6 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.806 ' H ' HD13 ' A' ' 105' ' ' ILE . . . -59.08 -41.86 96.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.688 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.77 -54.33 40.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.89 -33.98 69.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.54 -43.98 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -62.04 -34.09 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -70.11 -41.11 74.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.61 19.13 21.22 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.68 -33.16 58.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 63' ' ' VAL . 3.8 mt -93.15 122.88 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -92.23 148.76 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.71 149.35 31.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.6 t -173.32 136.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.24 -109.39 3.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.451 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.48 76.42 1.03 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.809 0.338 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.09 -36.44 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -53.17 -47.93 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -54.0 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.779 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.92 -28.86 58.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.66 -39.95 74.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.464 ' HG3' HG11 ' A' ' 25' ' ' VAL . 19.5 mmtm -52.81 -42.73 65.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -28.25 68.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -73.89 -45.09 52.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.08 -28.26 24.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.21 -20.98 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.806 HD13 ' H ' ' A' ' 81' ' ' GLY . 8.1 tp -51.08 -32.95 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -126.38 69.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -68.48 110.01 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -112.39 161.57 16.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.42 103.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -91.66 118.87 31.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 30.8 p-80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.6 mtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.53 112.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.53 HG22 HG21 ' A' ' 33' ' ' ILE . 81.3 t -50.45 -37.26 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.26 -44.64 92.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 m -63.09 -15.77 57.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 70' ' ' MET . 4.0 mm -83.42 -55.13 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 10' ' ' ILE . 37.4 mm -66.92 -41.38 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -39.9 24.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -32.72 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.781 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.9 mt -70.19 -55.61 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.83 -46.51 89.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.04 -41.01 61.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -80.79 -31.54 35.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 10' ' ' ILE . 42.8 t -62.91 -38.22 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.41 -6.07 79.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.76 -20.11 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 111.085 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 14' ' ' VAL . 4.7 p -76.45 152.35 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.8 158.96 30.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.07 5.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -79.98 -13.41 59.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.23 -67.04 1.76 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -168.88 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.741 2.294 . . . . 0.0 112.338 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.82 165.38 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 87.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.0 m -151.78 166.97 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.692 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -175.21 113.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.95 -139.27 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -145.97 148.3 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -128.83 152.55 48.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -120.21 104.02 9.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.48 141.4 33.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -128.4 129.41 46.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 3' ' ' VAL . 9.1 mm -86.77 155.85 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 9.1 ttpt -117.35 106.93 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 38' ' ' GLY . 9.5 t -129.72 168.04 17.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.61 -22.67 65.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.23 -16.59 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' H ' HG23 ' A' ' 35' ' ' THR . . . 147.75 -124.17 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.0 t -146.23 117.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' OE1' HG21 ' A' ' 3' ' ' VAL . 14.8 mt-10 -86.98 112.11 21.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -87.54 141.55 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CE2' HG13 ' A' ' 7' ' ' ILE . 74.5 m95 -138.9 149.73 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -114.59 132.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -132.91 139.39 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -114.8 142.71 46.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.35 -42.06 7.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 26' ' ' LEU . 7.4 mtmt -44.42 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -105.55 -166.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.4 mm? -113.81 75.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 164.02 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.636 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.6 t -147.59 141.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.33 159.87 41.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -106.18 143.09 34.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.79 -157.78 14.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.0 p -114.0 116.54 52.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -51.83 148.28 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.84 68.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.77 74.37 1.1 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.689 0.757 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 160.44 49.7 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.35 -39.7 59.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.729 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.6 t -146.05 151.35 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -117.05 100.97 8.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.485 ' CG2' HG22 ' A' ' 89' ' ' ILE . 2.7 p -99.25 145.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -123.08 129.0 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.88 150.43 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -82.52 172.08 51.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.483 HD23 HG21 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -65.15 -56.76 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.934 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.5 -53.21 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -52.92 -53.54 47.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.438 ' SD ' HG21 ' A' ' 6' ' ' ILE . 3.0 ttt -64.3 -24.44 67.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.04 -48.04 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.4 -30.69 71.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 16.8 mt -79.72 -63.61 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.0 p -56.77 -31.76 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.9 -0.96 66.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.12 56.67 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.41 -60.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -88.76 169.29 11.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.3 p -114.29 149.73 35.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.4 t -49.17 -43.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.95 95.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.721 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.79 -54.29 37.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.833 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.8 -34.18 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tp -67.58 -45.15 76.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -61.91 -37.49 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -71.39 -41.92 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.44 33.51 5.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -88.4 -33.09 18.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.485 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -100.66 112.6 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.22 148.73 21.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.83 163.2 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -173.7 143.93 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.38 -108.0 3.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.98 73.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.69 -36.69 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -46.9 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -55.54 16.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.729 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.33 -28.58 43.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.96 78.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -28.99 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.56 -35.35 73.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.438 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -73.03 -31.88 64.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -53.63 -28.85 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.6 t -59.25 -20.95 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 102' ' ' ALA . 11.5 tt -51.4 -30.71 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -127.93 30.3 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -148.79 26.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -53.93 132.88 42.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.08 26.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 91.28 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.792 0.329 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.22 110.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.648 HG11 ' OE2' ' A' ' 40' ' ' GLU . 55.7 t -51.3 -36.91 17.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -42.0 98.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.489 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -64.62 -14.89 59.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' CD1' HD22 ' A' ' 71' ' ' LEU . 4.3 mm -82.68 -54.31 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.663 HD13 HD12 ' A' ' 10' ' ' ILE . 36.5 mm -68.14 -39.45 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -47.89 -45.34 30.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' NH1' HG22 ' A' ' 5' ' ' THR . 18.7 mtt85 -70.68 -31.55 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.691 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.8 mt -69.54 -55.84 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.674 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.83 -45.42 92.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.05 -42.25 62.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -80.55 -34.14 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.697 HG12 ' HB3' ' A' ' 49' ' ' LEU . 25.6 t -60.69 -34.33 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.92 -5.23 90.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.14 -26.61 7.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 14' ' ' VAL . 11.5 p -49.32 148.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.91 158.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.591 0.71 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.5 5.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.93 -21.36 64.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.91 164.99 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -22.15 32.84 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' HG3' HG11 ' A' ' 104' ' ' VAL . 19.8 mmt180 -142.53 142.0 32.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.55 86.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 m -152.46 170.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -174.23 122.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -177.41 -141.94 4.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -145.63 147.45 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -128.52 154.55 46.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -122.2 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.7 pp -102.35 142.98 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -125.85 130.7 51.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 31' ' ' LEU . 6.7 mm -94.95 105.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -68.92 104.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.089 HG22 HD21 ' A' ' 67' ' ' LEU . 18.0 p -109.78 154.56 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.21 -17.22 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -98.94 -17.1 18.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.34 -134.47 3.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.0 t -148.08 116.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.648 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.4 mt-10 -88.48 111.01 21.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -86.04 142.48 28.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.426 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.5 m95 -138.22 147.7 44.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -113.12 131.8 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -131.94 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.34 140.62 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -93.9 -42.25 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.2 mtmt -44.16 -64.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -105.62 -168.39 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.18 69.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 161.64 29.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.674 HG21 ' HG2' ' A' ' 11' ' ' LYS . 43.1 t -145.93 140.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.11 159.08 42.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -105.42 142.33 35.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.85 -157.52 14.91 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -114.21 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.165 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.3 t80 -52.36 148.78 6.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.33 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -166.39 73.85 1.18 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.692 0.758 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.7 Cg_endo -69.77 159.86 51.82 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -74.9 -39.49 61.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.5 t -146.44 151.68 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -123.27 110.51 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG22 ' A' ' 89' ' ' ILE . 1.5 p -110.92 143.07 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -123.02 130.79 53.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.705 ' CG1' HG23 ' A' ' 89' ' ' ILE . 6.1 m -143.12 165.79 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.3 161.48 28.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.089 HD21 HG22 ' A' ' 35' ' ' THR . 0.4 OUTLIER -54.22 -61.02 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 0.0 110.972 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.32 -43.26 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.98 -53.89 53.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.56 ' HG2' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.28 -23.96 67.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.444 HD22 ' CD1' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.17 -45.85 75.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.599 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -64.93 -41.83 95.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.65 -64.4 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.9 p -56.54 -28.01 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.05 2.53 69.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt 64.91 56.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 m -134.98 -59.58 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.5 169.63 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.9 p -118.8 151.59 37.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.572 ' HB ' HG21 ' A' ' 105' ' ' ILE . 54.8 t -49.25 -44.54 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.15 -41.61 86.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.698 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.36 -54.78 31.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.886 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -58.71 -34.4 71.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.46 -44.96 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -61.51 -34.43 75.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.92 -38.76 61.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.6 22.99 14.77 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -78.27 -33.26 49.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.739 0.304 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.705 HG23 ' CG1' ' A' ' 65' ' ' VAL . 3.3 mt -89.76 117.35 32.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.97 144.64 25.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 98' ' ' ALA . 5.4 mt -109.16 152.03 25.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.46 124.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.22 -114.47 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.84 73.62 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.76 -36.07 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.78 64.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -59.17 5.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.668 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.95 -27.23 29.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.569 ' O ' HG13 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -51.71 -29.24 17.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.9 tp -80.6 -34.86 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.82 -30.7 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.07 -35.69 59.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 100' ' ' LYS . 28.3 m -74.66 -36.11 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.572 HG21 ' HB ' ' A' ' 80' ' ' VAL . 10.5 tp -77.85 -16.58 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -91.32 -37.72 13.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 -171.28 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -52.49 113.17 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -138.67 159.41 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -158.09 -51.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.816 0.341 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.595 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -178.55 112.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.655 HG11 ' OE1' ' A' ' 40' ' ' GLU . 5.2 p -67.92 -31.37 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -38.77 90.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 2' ' ' SER . 55.2 p -67.5 -12.22 59.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.111 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 70' ' ' MET . 4.1 mm -84.28 -55.63 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 10' ' ' ILE . 29.6 mm -54.78 -43.18 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -47.36 -45.72 25.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -32.71 70.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.0 mt -68.9 -56.58 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.651 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -62.41 -48.96 77.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.87 -33.25 35.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.768 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.6 mmm180 -79.86 -47.7 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.887 HG12 ' HB3' ' A' ' 49' ' ' LEU . 26.1 t -49.53 -42.95 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.75 -26.22 59.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.98 -31.74 11.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 13' ' ' ARG . 61.5 t -53.26 144.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.72 144.98 29.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.847 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -38.11 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 0.0 112.316 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.79 -12.99 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.54 160.77 0.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 74.23 1.32 Allowed 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.691 2.261 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -148.85 93.26 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.9 85.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.606 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.4 m -153.45 164.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.35 112.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.75 -171.03 28.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 t -108.81 148.75 12.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -127.14 149.27 50.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -118.61 102.86 9.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 pp -96.49 141.36 29.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -120.62 128.37 52.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.455 HG22 ' HG ' ' A' ' 67' ' ' LEU . 9.1 mm -93.63 101.9 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.12 111.23 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.656 ' HB ' HD21 ' A' ' 67' ' ' LEU . 7.6 t -128.46 163.66 24.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.5 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -82.19 -12.48 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.34 -126.69 2.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.496 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -150.31 114.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 0.0 111.115 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.655 ' OE1' HG11 ' A' ' 3' ' ' VAL . 5.1 mt-10 -87.49 109.82 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.18 136.21 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -131.06 145.42 52.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -106.89 134.03 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.49 138.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.98 118.74 34.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.606 HD23 ' CG2' ' A' ' 25' ' ' VAL . 8.5 mp -71.02 -56.48 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -41.78 -64.63 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -90.92 179.34 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.887 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.16 66.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 168.51 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.651 HG21 ' HG2' ' A' ' 11' ' ' LYS . 52.9 t -147.53 142.11 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.58 159.56 41.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -106.24 141.7 37.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.34 -156.01 15.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.8 120.03 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -56.33 146.7 23.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.65 -26.87 62.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.1 t -170.3 76.34 0.61 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 159.37 53.72 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.94 -37.11 35.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.783 HG11 ' HB2' ' A' ' 98' ' ' ALA . 19.1 t -146.27 152.0 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.6 m -123.75 106.01 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' HG22 ' A' ' 89' ' ' ILE . 4.1 p -104.91 149.11 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.9 m -122.28 129.07 51.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.45 HG13 ' HG3' ' A' ' 70' ' ' MET . 7.5 p -149.71 150.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.03 167.83 52.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -66.59 -51.08 60.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.777 0.323 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -48.83 -57.44 6.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -53.46 -52.04 60.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.613 ' HB3' HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -57.85 -29.31 64.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.4 tt -68.75 -42.36 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.617 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -65.48 -42.97 91.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.01 -63.57 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.516 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.7 p -56.69 -26.13 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.73 5.18 70.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.0 tttt 64.11 56.53 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.23 -59.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -91.23 169.62 10.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 49.0 p -117.36 150.67 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.4 t -49.83 -42.66 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.574 ' HA3' HG21 ' A' ' 105' ' ' ILE . . . -59.59 -39.45 95.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.7 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.88 -54.52 33.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' HB1' ' OD2' ' A' ' 69' ' ' ASP . . . -58.54 -34.14 70.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -67.9 -44.76 76.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -61.76 -35.94 79.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.28 -41.09 73.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.07 21.45 13.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -76.72 -33.4 58.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.504 HG22 ' CG2' ' A' ' 63' ' ' VAL . 2.8 mt -96.96 111.5 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -92.61 144.82 24.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.97 160.31 14.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 143.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.29 -111.35 4.1 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -103.6 76.49 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.28 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -47.23 61.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -53.04 33.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.783 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.13 -28.43 52.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.59 88.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -52.75 -39.64 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 104' ' ' VAL . 58.8 mt -62.42 -43.49 98.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.84 -30.21 62.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -52.32 -35.95 52.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 101' ' ' LEU . 5.3 m -52.79 -28.41 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.574 HG21 ' HA3' ' A' ' 81' ' ' GLY . 42.8 mm -88.85 -49.12 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -52.32 169.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 m170 61.05 41.03 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -175.29 -50.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.88 162.14 13.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -163.77 155.39 16.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' HA ' HD11 ' A' ' 71' ' ' LEU . 1.2 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 177.92 126.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -50.51 -30.82 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.93 -41.8 97.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -14.24 56.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mm -83.14 -55.06 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.568 HD13 HD12 ' A' ' 10' ' ' ILE . 36.6 mm -65.95 -38.86 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -35.83 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.43 65.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 14' ' ' VAL . 97.4 mt -65.01 -51.59 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.717 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.01 -30.93 71.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.8 mmm180 -80.94 -54.19 5.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.4 m -46.88 -45.99 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.75 -28.89 24.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.42 -31.95 10.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 13' ' ' ARG . 52.0 t -53.85 149.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.05 158.0 77.96 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.569 0.699 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -35.77 12.0 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -68.2 -22.77 64.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.87 165.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.531 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HG3' HG22 ' A' ' 104' ' ' VAL . 29.1 mmt-85 -140.63 141.12 35.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.26 86.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -152.14 170.69 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.538 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.7 pt? -173.93 121.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.12 -136.55 3.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.13 149.74 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -127.83 156.91 41.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -125.34 106.65 9.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.5 pp -107.25 139.08 42.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.601 ' OD1' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -125.59 130.74 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.7 mm -90.04 98.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.0 mtpt -70.52 99.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.718 ' HA ' HD22 ' A' ' 67' ' ' LEU . 3.6 t -117.47 161.65 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -25.7 63.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t -81.62 -20.62 39.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.441 ' H ' HG23 ' A' ' 35' ' ' THR . . . 156.31 -130.99 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.1 t -146.47 114.55 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -87.66 111.11 20.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.18 139.91 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HG13 ' A' ' 7' ' ' ILE . 71.6 m95 -138.52 146.83 42.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.9 mt -112.55 137.78 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.54 137.73 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -110.03 139.03 45.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -88.53 -45.26 10.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.6 mttt -44.25 -64.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -102.48 -167.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.78 69.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.99 163.58 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.717 HG21 ' HG2' ' A' ' 11' ' ' LYS . 67.5 t -145.45 136.72 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.71 157.33 46.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -103.5 137.23 41.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.31 -157.48 15.37 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.6 p -114.75 117.35 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.14 147.52 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.36 -28.04 66.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.99 75.39 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.747 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.91 55.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.31 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -75.32 -38.59 60.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.7 t -146.11 151.71 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 m -122.36 100.49 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.4 p -98.99 140.7 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -122.73 133.43 54.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.95 149.09 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.58 142.0 33.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -55.9 -32.37 63.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.4 -50.52 63.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -54.24 -53.44 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.1 ttt -61.71 -25.14 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 1' ' ' MET . 5.0 tt -60.74 -55.27 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.547 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.92 -31.75 60.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.072 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -76.55 -60.92 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -56.32 -24.65 45.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.64 8.09 70.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.93 56.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -59.6 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 72' ' ' ALA . 2.8 mt -92.4 169.71 10.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -128.28 154.5 45.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.763 ' HB ' HD13 ' A' ' 105' ' ' ILE . 79.2 t -51.48 -46.4 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.14 -38.38 66.71 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.63 -55.65 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.92 68.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -68.95 -50.79 46.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -59.79 -40.87 89.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.52 -37.92 65.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.37 33.97 4.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt -76.85 -30.36 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.6 156.46 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -121.41 149.04 43.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.35 147.69 38.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.3 t -173.43 123.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 113.26 -112.74 2.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 m-20 -102.1 73.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.9 -36.96 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.98 -46.99 61.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -53.87 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.695 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -54.75 -28.86 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.85 -37.61 79.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' ' 104' ' ' VAL . 12.6 mmtm -62.83 -48.27 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.42 -53.95 49.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.522 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -59.78 -44.83 93.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -52.73 -29.4 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 100' ' ' LYS . 49.1 t -54.75 -26.23 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.763 HD13 ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -57.34 -28.85 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -84.3 -74.75 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.06 135.38 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -175.0 145.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -95.04 134.19 38.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.53 97.47 5.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.817 0.342 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.48 112.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.34 -34.98 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.9 mp0 -62.41 -39.49 93.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.1 m -67.49 -12.97 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.72 HG23 ' CB ' ' A' ' 74' ' ' SER . 4.0 mm -84.89 -55.33 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.763 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -57.78 -33.06 44.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -47.91 -47.2 32.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -65.27 -32.04 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD12 HD13 ' A' ' 7' ' ' ILE . 96.6 mt -70.08 -56.19 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.565 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.31 -45.73 90.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.7 61.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -38.35 28.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 10' ' ' ILE . 26.3 t -54.85 -36.01 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.86 65.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.79 -29.91 5.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 14' ' ' VAL . 5.0 p -62.09 151.61 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.95 160.0 27.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.606 0.717 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -38.67 7.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.391 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -82.99 -12.59 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.83 -65.08 2.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -168.28 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.54 165.03 17.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.07 88.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -150.77 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.09 124.54 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 165.91 -148.37 13.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.02 146.68 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.132 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -122.36 148.45 45.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -112.44 103.31 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.68 148.29 22.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.98 124.52 18.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.1 mm -96.31 105.71 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HA ' HG22 ' A' ' 39' ' ' VAL . 9.7 mtpt -72.56 99.17 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 ' OG1' HD22 ' A' ' 67' ' ' LEU . 7.7 t -110.83 164.67 12.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.37 -24.52 67.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -14.71 45.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 35' ' ' THR . . . 153.04 -127.31 2.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 34' ' ' LYS . 22.6 t -146.57 114.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.91 111.39 20.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.73 145.0 27.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -141.76 147.59 37.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -113.1 134.08 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -136.7 135.28 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.98 123.11 48.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.8 mp -74.89 -52.0 12.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -41.73 -66.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -91.81 -169.66 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.6 mm? -119.76 67.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 166.52 20.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.565 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.4 t -146.19 140.0 20.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.34 158.77 43.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -104.62 140.7 37.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.96 -158.96 14.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.5 117.67 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -53.73 146.72 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.16 -27.89 64.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.066 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.14 76.2 0.73 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 158.38 57.13 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.58 -36.66 60.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.803 HG11 ' HB2' ' A' ' 98' ' ' ALA . 11.3 t -145.56 151.17 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -122.69 113.75 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.635 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -114.2 140.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -124.08 113.54 18.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.2 p -118.61 149.5 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.58 148.78 51.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.564 HD22 ' OG1' ' A' ' 35' ' ' THR . 6.9 tp -66.11 -48.62 70.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.94 -43.22 83.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -60.74 -31.12 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -24.88 42.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.22 -50.5 65.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.743 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.85 -34.75 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.1 mt -77.07 -59.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.72 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.5 OUTLIER -55.74 -24.17 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.1 11.03 63.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 63.23 56.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.51 -58.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.3 mt -91.39 169.95 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.3 p -129.4 159.77 35.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.75 ' HB ' HG21 ' A' ' 105' ' ' ILE . 69.5 t -53.95 -47.36 64.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.61 -40.18 55.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.565 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.28 -56.83 11.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.25 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.7 -39.02 84.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -33.46 74.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.29 -40.68 58.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.22 25.92 7.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -76.73 -33.31 58.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.635 HG22 HG22 ' A' ' 63' ' ' VAL . 1.8 mt -95.94 114.61 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.24 149.24 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 155.54 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.9 m -173.12 157.57 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 87.89 -104.83 3.05 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.09 75.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.357 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.08 -36.81 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -47.21 68.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -56.31 13.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.803 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.34 -36.03 60.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -51.51 -42.17 61.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -64.63 -44.84 89.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.729 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.4 OUTLIER -59.25 -43.49 92.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.87 -30.18 61.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.49 -33.45 62.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 101' ' ' LEU . 1.5 p -57.17 -20.8 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.75 HG21 ' HB ' ' A' ' 80' ' ' VAL . 43.4 mm -88.78 -46.9 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 62.77 -170.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -51.97 -33.98 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.36 141.19 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -88.99 142.94 27.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.2 m170 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.552 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -176.1 111.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.809 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.47 -32.55 55.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -40.39 96.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.552 HG23 ' HB2' ' A' ' 2' ' ' SER . 56.6 p -66.05 -13.74 60.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -83.13 -54.54 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.731 HD13 HD12 ' A' ' 10' ' ' ILE . 16.9 mm -66.09 -28.53 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.18 -35.9 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -74.43 -34.76 63.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.731 HD12 HD13 ' A' ' 7' ' ' ILE . 50.3 mt -66.75 -51.25 58.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.612 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.9 mtmt -63.76 -48.75 75.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.955 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.63 60.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.602 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -79.83 -40.64 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 10' ' ' ILE . 21.7 t -51.59 -39.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.97 -16.71 68.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.76 -30.66 10.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 13' ' ' ARG . 95.0 t -46.51 146.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.83 157.94 88.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.62 0.724 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -40.18 5.54 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.31 -20.43 63.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.14 164.74 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.596 ' HG2' HG21 ' A' ' 104' ' ' VAL . 53.7 Cg_endo -69.76 -16.1 37.41 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.738 2.292 . . . . 0.0 112.353 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.641 ' CG ' HG23 ' A' ' 104' ' ' VAL . 23.6 mmt180 -142.7 146.01 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -68.22 86.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.4 m -152.27 167.43 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.752 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -175.37 113.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.2 -139.94 3.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.2 t -146.09 147.51 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -127.75 143.04 51.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -104.35 102.1 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.626 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.8 mt -88.43 143.71 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.603 HD21 HG22 ' A' ' 62' ' ' THR . 0.2 OUTLIER -140.46 125.07 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' O ' HG13 ' A' ' 39' ' ' VAL . 13.3 mm -89.12 149.77 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 19.3 ttpt -118.2 99.37 6.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 t -127.53 166.04 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.32 70.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -18.83 61.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 146.88 -129.51 3.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 33' ' ' ILE . 13.4 t -144.57 116.71 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -88.0 114.21 24.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.28 143.57 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -142.21 146.77 35.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 mt -116.06 130.27 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -130.83 138.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -114.12 140.26 48.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.11 -43.53 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.752 ' HD3' HD12 ' A' ' 26' ' ' LEU . 8.0 mtmt -44.46 -64.71 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -104.11 -168.25 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.679 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.1 mm? -113.75 76.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.91 161.31 36.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG21 ' HG2' ' A' ' 11' ' ' LYS . 30.3 t -145.37 138.28 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.07 159.92 39.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -107.87 138.16 44.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.67 -154.65 16.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.2 t -110.79 121.58 63.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.877 0.37 . . . . 0.0 111.098 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.58 146.85 34.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.98 -26.97 64.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -169.23 76.17 0.72 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.898 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 160.07 51.06 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.38 -38.08 27.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 97' ' ' LEU . 21.9 t -145.2 151.37 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.603 HG22 HD21 ' A' ' 32' ' ' ASN . 1.7 m -115.79 105.27 12.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.5 p -100.68 144.68 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -123.15 132.3 54.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.03 151.25 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -78.06 155.07 41.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -65.07 -35.11 80.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -71.71 -42.1 67.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.45 -53.75 54.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.4 mtp -59.53 -38.5 81.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.9 tp -50.54 -47.52 57.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -31.1 71.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.8 mt -77.53 -62.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 p -56.11 -28.27 57.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 2.94 74.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.54 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.6 tttt 64.28 56.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -132.46 -60.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.2 169.89 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.8 p -125.31 156.27 38.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.722 ' HB ' HG21 ' A' ' 105' ' ' ILE . 69.4 t -51.25 -46.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.31 -43.51 64.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.612 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -62.98 -54.92 30.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.853 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 88' ' ' LYS . . . -58.31 -33.43 69.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -68.66 -49.24 60.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -39.69 89.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -74.73 -39.77 61.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.71 35.64 3.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.504 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 0.0 OUTLIER -76.81 -33.32 57.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.734 0.302 . . . . 0.0 110.923 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 HG22 ' A' ' 63' ' ' VAL . 1.3 mm -101.23 156.43 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.76 143.55 41.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.93 153.02 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -174.9 126.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.98 -14.38 26.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.531 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER 177.96 102.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.68 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -56.14 20.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -56.7 -56.38 22.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -56.39 -29.36 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.79 -30.15 67.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -60.92 -35.25 76.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.735 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.5 tp -77.51 -33.62 54.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.92 -33.78 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -75.15 -35.43 61.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 101' ' ' LEU . 2.8 p -57.77 -20.36 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.722 HG21 ' HB ' ' A' ' 80' ' ' VAL . 24.0 mm -88.35 -29.08 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 55.74 -171.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -53.54 148.57 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -114.88 169.24 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.817 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.35 146.77 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 59.8 -171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 64.23 108.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.662 HG11 ' OE2' ' A' ' 40' ' ' GLU . 53.4 t -63.3 -36.94 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.52 -36.87 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -68.6 -13.34 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.63 -55.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.57 HD13 HD12 ' A' ' 10' ' ' ILE . 36.8 mm -62.09 -40.14 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.14 -45.4 22.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -36.59 84.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 14' ' ' VAL . 98.2 mt -65.77 -53.12 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -64.8 -40.85 95.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.2 72.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.063 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 17' ' ' VAL . 54.6 mmt-85 -80.67 -53.85 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 10' ' ' ILE . 10.4 m -48.53 -45.83 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -59.45 -20.04 49.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.25 -31.64 9.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 13' ' ' ARG . 98.9 t -49.32 145.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.55 159.36 1.25 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.06 19.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.07 -23.82 64.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.15 160.67 24.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.451 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.26 14.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.706 2.271 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.703 ' NH2' HG11 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -149.96 165.32 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -65.93 86.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -152.82 168.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.03 111.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 163.12 -137.73 4.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.5 t -146.74 148.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -130.07 150.8 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -111.4 102.88 11.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.682 HD22 ' CE ' ' A' ' 70' ' ' MET . 4.8 mt -89.12 148.43 23.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -142.07 122.92 14.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.3 mm -98.19 115.07 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HA ' HG22 ' A' ' 39' ' ' VAL . 6.3 ptmt -72.28 130.75 41.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.977 HG22 HD21 ' A' ' 67' ' ' LEU . 19.4 p -135.51 171.46 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.5 -11.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.5 p -105.82 -19.59 13.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.46 -134.54 3.29 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.3 t -145.82 117.21 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.662 ' OE2' HG11 ' A' ' 3' ' ' VAL . 9.7 mt-10 -81.8 111.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -85.34 147.93 26.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.419 ' CE2' HG13 ' A' ' 7' ' ' ILE . 82.4 m95 -145.08 145.01 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.45 131.7 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.63 140.06 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -113.75 140.03 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -90.49 -45.43 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -43.79 -64.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -102.97 -168.39 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.7 mm? -115.61 69.28 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 164.94 19.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 11' ' ' LYS . 48.3 t -147.15 140.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.21 158.29 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -104.94 139.6 39.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.82 -158.54 14.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -113.89 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 111.14 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -53.03 147.64 9.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -26.46 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -170.07 76.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.685 0.755 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.51 56.69 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' OD2' HD13 ' A' ' 97' ' ' LEU . 3.1 t0 -73.92 -41.44 62.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 98' ' ' ALA . 17.6 t -147.75 138.85 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.8 m -101.64 107.66 18.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 89' ' ' ILE . 1.6 p -103.84 143.53 15.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.3 m -123.2 131.52 53.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 70' ' ' MET . 7.3 p -149.3 150.99 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.46 168.71 53.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -65.23 -58.52 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.957 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -53.15 -52.21 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -52.87 -53.6 46.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.682 ' CE ' HD22 ' A' ' 31' ' ' LEU . 3.7 tpp -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 71' ' ' LEU . 1.2 tm? -61.26 -50.35 73.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.515 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -60.46 -31.72 70.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.7 mt -77.69 -63.59 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.08 -31.01 62.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.71 1.17 63.01 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt 65.34 56.74 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -132.18 -60.05 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.2 mt -89.48 169.61 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.2 p -121.79 155.19 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.72 -48.36 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -51.93 -40.23 49.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.537 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.687 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -64.4 -56.93 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.22 -34.7 72.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.518 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -67.41 -42.61 82.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -65.14 -36.9 85.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -75.1 -40.29 60.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.38 3.57 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -91.03 -33.26 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.323 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 63' ' ' VAL . 1.7 mt -99.24 113.25 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 149.49 21.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.33 170.77 7.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.529 ' O ' HG13 ' A' ' 61' ' ' VAL . 46.9 t -172.88 149.21 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.02 -118.86 4.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.68 67.69 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.72 -36.64 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -47.46 62.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -59.57 -49.07 79.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.563 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -64.9 -27.92 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.46 68.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -40.84 62.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 104' ' ' VAL . 8.2 mt -77.5 -55.94 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.518 ' HB1' ' HG ' ' A' ' 84' ' ' LEU . . . -51.8 -29.65 20.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -52.11 -33.45 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG11 ' NH2' ' A' ' 23' ' ' ARG . 11.2 m -54.59 -23.15 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 84' ' ' LEU . 20.5 tt -50.73 -30.33 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.05 146.9 14.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.99 141.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -98.87 88.46 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 62.93 59.12 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -52.05 -62.91 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.4 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.585 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -176.97 112.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 87.2 t -68.12 -32.48 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.89 -39.65 94.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 2' ' ' SER . 54.7 p -66.9 -12.93 61.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 70' ' ' MET . 3.9 mm -84.66 -55.63 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.167 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.674 HD13 HD12 ' A' ' 10' ' ' ILE . 32.3 mm -54.78 -38.74 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -47.44 -47.32 26.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -32.08 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.7 mt -69.51 -55.94 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.585 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -63.7 -46.29 86.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.82 61.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.77 ' O ' HG23 ' A' ' 17' ' ' VAL . 9.6 tpt180 -79.79 -42.35 24.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.757 HG12 ' HB3' ' A' ' 49' ' ' LEU . 28.5 t -52.14 -38.84 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.99 -19.01 78.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.18 -32.26 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.828 0.347 . . . . 0.0 111.117 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 13' ' ' ARG . 40.2 t -51.75 149.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.74 144.09 27.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.596 0.713 . . . . 0.0 110.838 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -39.42 6.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -80.42 -12.19 59.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.17 161.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 53.7 Cg_endo -69.74 74.71 1.26 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.348 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' PRO . 2.2 mtt-85 -155.28 90.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.4 85.25 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -152.65 146.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -168.61 110.71 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . 160.62 -136.61 4.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -147.72 148.88 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CE2' HD23 ' A' ' 97' ' ' LEU . 9.0 m-85 -132.5 141.27 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -107.45 100.29 9.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 ' CE ' ' A' ' 70' ' ' MET . 2.3 pp -94.75 147.5 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -131.28 126.85 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.537 HG22 ' HB3' ' A' ' 67' ' ' LEU . 7.9 mm -87.58 105.77 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -76.05 100.93 5.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.431 ' HA ' HD22 ' A' ' 67' ' ' LEU . 5.2 t -123.1 161.96 23.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 -29.79 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 m -74.07 -19.81 60.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.49 -126.45 2.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.1 t -148.92 114.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.42 111.14 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.02 134.84 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ2' HG13 ' A' ' 7' ' ' ILE . 73.3 m95 -131.39 148.67 52.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 mt -109.95 131.98 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -133.27 137.39 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -111.88 142.93 43.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.4 OUTLIER -95.62 -44.49 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -43.58 -64.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -104.91 -169.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.757 ' HB3' HG12 ' A' ' 14' ' ' VAL . 1.2 mm? -112.88 71.75 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 164.76 24.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 11' ' ' LYS . 39.7 t -147.5 141.55 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.22 159.24 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -106.6 141.82 37.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.98 -154.83 16.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.93 121.94 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -58.04 146.93 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.85 -25.77 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.3 t -171.44 76.56 0.52 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.693 0.758 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 157.23 61.16 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.29 -42.89 43.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG21 ' HB3' ' A' ' 97' ' ' LEU . 3.6 t -147.42 152.09 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -112.71 112.98 24.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.15 147.7 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.0 m -123.27 135.49 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.92 149.89 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.82 146.8 37.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -59.68 -32.23 70.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.802 0.334 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.08 -55.1 15.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -53.03 -54.2 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.624 ' HB3' HG21 ' A' ' 6' ' ' ILE . 2.3 mmt -50.64 -34.53 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 71' ' ' LEU . 8.8 tt -68.96 -40.76 78.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.61 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -67.99 -42.73 80.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.5 mt -74.93 -63.45 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 6' ' ' ILE . 2.8 p -56.17 -26.71 51.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.66 5.97 67.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 tttt 64.32 56.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -137.0 -59.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.6 mt -91.61 169.8 10.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.4 p -121.88 155.55 35.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.6 t -51.23 -45.5 31.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.02 -43.24 83.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.665 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.4 -54.35 41.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.79 0.329 . . . . 0.0 110.87 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.415 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -58.37 -33.93 70.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.4 -49.48 59.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -60.62 -40.95 93.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.65 -37.64 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.03 28.97 7.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -76.93 -32.74 57.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.415 HG13 ' HB1' ' A' ' 83' ' ' ALA . 9.2 mt -106.01 113.56 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -92.57 146.13 23.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.004 HD22 ' HB1' ' A' ' 98' ' ' ALA . 11.0 mt -119.31 141.08 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 m -160.6 140.66 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.17 143.17 3.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' CB ' HG22 ' A' ' 61' ' ' VAL . 1.1 t0 42.88 87.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.65 -33.18 73.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -56.59 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -58.24 -49.75 76.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 1.004 ' HB1' HD22 ' A' ' 91' ' ' LEU . . . -56.57 -28.66 60.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.061 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.5 74.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -55.99 -44.25 78.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 29' ' ' PHE . 48.2 mt -54.88 -44.71 74.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -73.15 -34.64 66.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -53.39 -28.92 31.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.3 t -58.69 -21.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 102' ' ' ALA . 10.6 tp -51.44 -30.13 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 72.25 -69.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.56 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -158.23 96.6 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 56.77 31.82 20.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 54.4 88.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.5 mtt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.52 111.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.89 -35.34 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.48 -38.54 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 m -66.89 -13.25 61.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.472 HG23 ' HA ' ' A' ' 71' ' ' LEU . 4.0 mm -84.4 -55.11 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.638 HD13 HD12 ' A' ' 10' ' ' ILE . 32.8 mm -66.67 -34.63 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -42.45 22.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -68.72 -37.64 79.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.674 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.8 mt -64.23 -52.94 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -64.71 -41.47 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.77 -31.03 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.067 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.769 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.1 mmm180 -81.26 -54.79 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.0 m -46.75 -45.28 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -50.4 -28.54 14.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.28 -31.38 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 13' ' ' ARG . 65.1 t -51.27 147.27 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.71 159.86 28.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.702 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.85 6.0 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -74.61 -14.51 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.38 -66.07 2.6 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.458 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.92 166.04 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 89.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -148.14 172.25 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.1 pp -172.44 121.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.73 -159.45 30.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.2 t -132.13 150.49 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -129.91 153.01 48.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -117.98 105.19 11.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.688 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.9 mt -92.87 147.82 22.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.51 HD21 HG22 ' A' ' 62' ' ' THR . 1.1 m-20 -142.34 130.94 22.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.658 HG21 HD23 ' A' ' 67' ' ' LEU . 10.1 mm -92.45 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.5 107.66 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 38' ' ' GLY . 8.9 t -133.83 166.85 21.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.51 -23.87 65.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -19.3 44.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.515 ' H ' HG23 ' A' ' 35' ' ' THR . . . 151.23 -126.61 2.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 33' ' ' ILE . 21.0 t -147.62 115.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.792 0.33 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 112.02 17.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -89.87 137.94 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 80.0 m95 -136.72 138.8 41.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mt -104.76 130.52 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.72 139.05 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -115.39 125.92 53.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 46' ' ' LEU . 6.6 mp -75.77 -49.69 17.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HD3' HD12 ' A' ' 26' ' ' LEU . 12.8 mtmt -40.76 -64.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -101.96 -178.26 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 49' ' ' LEU . 1.8 mm? -107.75 64.73 0.63 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 162.39 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' HG2' ' A' ' 11' ' ' LYS . 40.8 t -145.59 136.95 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.01 157.84 44.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -104.13 137.52 41.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.21 -156.34 15.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.97 118.38 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 3.5 t80 -52.68 147.47 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -27.17 66.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.33 74.9 0.85 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.717 0.77 . . . . 0.0 110.839 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 54.1 Cg_endo -69.69 158.7 56.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.396 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.42 -37.24 52.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.825 HG11 ' HB2' ' A' ' 98' ' ' ALA . 10.7 t -143.39 151.11 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.51 HG22 HD21 ' A' ' 32' ' ' ASN . 2.3 m -123.48 103.66 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.688 ' CG1' HD23 ' A' ' 31' ' ' LEU . 2.1 p -101.86 144.97 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.79 125.48 45.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.694 ' CG1' HG23 ' A' ' 89' ' ' ILE . 3.6 m -143.81 169.43 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -93.36 172.99 33.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.658 HD23 HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -65.25 -47.58 76.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.333 . . . . 0.0 110.949 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -57.48 12.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.41 -53.6 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.417 ' HG3' HG21 ' A' ' 6' ' ' ILE . 3.9 tpt -57.34 -26.08 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' A' ' 6' ' ' ILE . 6.6 tt -73.03 -42.41 63.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.612 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . -62.56 -37.1 84.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.7 mt -75.38 -62.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.449 ' HB3' HG22 ' A' ' 6' ' ' ILE . 0.3 OUTLIER -55.71 -33.17 63.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.44 -1.33 70.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 56.81 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.66 -61.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.182 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.745 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -92.47 170.02 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.9 p -118.32 154.75 31.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.784 HG21 ' HG ' ' A' ' 101' ' ' LEU . 72.0 t -49.84 -47.37 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -53.0 -43.53 61.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.745 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.8 -56.13 20.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.87 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' HB3' HD11 ' A' ' 89' ' ' ILE . . . -57.22 -34.18 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.31 -44.51 79.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -61.86 -34.61 76.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -72.15 -42.05 66.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.41 20.58 13.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -78.16 -33.47 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.694 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.2 mt -86.91 145.46 7.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -120.55 147.5 45.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.72 145.68 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.58 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.76 -104.77 0.64 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.75 78.41 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.8 -36.51 3.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.11 -48.47 70.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.86 -58.94 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.825 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.86 -27.65 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -30.96 70.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -51.67 -29.18 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.784 ' HG ' HG21 ' A' ' 80' ' ' VAL . 5.5 tp -76.39 -52.31 10.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.55 -29.13 15.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -51.89 -27.26 12.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 101' ' ' LEU . 13.2 p -55.32 -24.74 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 106' ' ' HIS . 0.4 OUTLIER -83.44 -25.53 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.418 ' O ' HG23 ' A' ' 105' ' ' ILE . 51.0 m-70 64.14 -169.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.4 m80 54.69 89.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -110.8 114.79 28.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -147.87 166.79 26.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -157.54 -64.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.3 112.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.58 -37.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 m -66.45 -13.69 61.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mm -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 10' ' ' ILE . 30.1 mm -62.67 -38.7 82.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -46.87 -45.07 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -65.17 -32.86 74.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 14' ' ' VAL . 86.5 mt -69.28 -45.22 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.642 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.2 mtmt -71.32 -41.85 69.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.04 -30.64 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.9 mmm180 -80.94 -55.1 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 10' ' ' ILE . 9.5 m -46.96 -45.95 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -52.61 -28.55 30.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.01 -32.28 11.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 13' ' ' ARG . 29.5 t -57.63 153.06 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.94 158.15 32.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -40.42 5.25 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.98 -14.72 62.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.85 -68.7 1.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 179.75 3.47 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.1 mmt-85 -68.82 159.78 31.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 87.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -151.17 173.37 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.675 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -173.58 124.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 46' ' ' LEU . . . -176.69 -147.36 6.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 t -146.79 151.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.465 ' CE2' HD23 ' A' ' 97' ' ' LEU . 7.6 m-85 -138.43 151.07 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -110.33 103.32 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' CG1' ' A' ' 63' ' ' VAL . 7.0 mt -90.14 147.92 23.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.493 HD21 HG22 ' A' ' 62' ' ' THR . 1.5 m-20 -140.7 126.81 19.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' HD23 ' A' ' 67' ' ' LEU . 3.8 mm -94.99 109.34 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -71.86 118.0 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.723 ' HB ' HD21 ' A' ' 67' ' ' LEU . 1.4 t -135.66 158.22 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.99 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.22 -13.99 48.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.09 -128.5 2.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -151.26 116.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 111.162 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -84.96 111.25 19.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -85.88 144.11 27.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.4 m95 -142.5 147.12 35.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.18 128.83 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -129.72 141.47 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -118.67 140.98 49.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 27' ' ' GLY . 0.3 OUTLIER -92.77 -40.51 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 26' ' ' LEU . 9.1 mtmt -43.7 -64.96 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -108.82 -167.64 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.53 HD12 ' HB ' ' A' ' 14' ' ' VAL . 2.8 mm? -111.07 70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 160.68 29.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG21 ' HG2' ' A' ' 11' ' ' LYS . 69.2 t -145.49 135.1 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.46 155.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -103.2 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 115.11 -158.46 14.33 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -112.95 117.83 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -52.4 147.29 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -25.58 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.5 t -170.64 75.49 0.58 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.699 0.762 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.52 62.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -68.55 -44.66 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 97' ' ' LEU . 2.8 t -147.23 152.06 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.493 HG22 HD21 ' A' ' 32' ' ' ASN . 1.8 m -110.09 114.42 27.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.627 ' CG1' HD23 ' A' ' 31' ' ' LEU . 3.6 p -109.06 148.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -122.8 134.18 54.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG21 ' HG2' ' A' ' 70' ' ' MET . 7.4 p -150.34 150.12 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.15 167.13 53.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 ' HB ' ' A' ' 35' ' ' THR . 0.4 OUTLIER -65.63 -62.04 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 110.922 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.47 -57.95 8.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.529 ' HG2' HG21 ' A' ' 65' ' ' VAL . 1.2 mmm -62.91 -34.73 78.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 71' ' ' LEU . 9.4 tt -54.6 -37.52 65.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -73.43 -35.31 65.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.6 mt -75.02 -63.49 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -30.86 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.09 -1.1 67.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt 64.78 56.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.9 m -131.65 -60.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.4 mt -86.74 169.51 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 p -118.27 151.94 36.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.839 HG21 HG23 ' A' ' 104' ' ' VAL . 2.8 m -50.84 -36.95 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -62.6 -46.16 94.32 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.666 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -59.52 -50.55 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -60.58 -33.75 73.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tp -70.52 -51.27 29.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -59.83 -43.54 94.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -71.03 -35.3 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 31.56 7.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.41 -33.35 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 83' ' ' ALA . 8.0 mt -107.83 110.96 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.67 148.35 22.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.45 165.88 12.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.34 110.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.92 148.55 24.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.414 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.9 OUTLIER 40.58 82.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.95 71.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.34 -54.68 13.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -54.54 -56.64 16.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.08 -28.83 26.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -73.61 -30.54 63.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -53.06 -51.42 61.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 104' ' ' VAL . 90.4 mt -55.08 -22.52 16.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -73.29 -28.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -51.3 -33.84 30.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.839 HG23 HG21 ' A' ' 80' ' ' VAL . 12.0 m -53.54 -23.34 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 102' ' ' ALA . 10.3 tp -49.86 -31.64 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.58 -68.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -171.87 43.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -51.8 127.47 20.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -166.59 149.02 6.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -54.53 119.06 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -172.87 108.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -53.62 -39.3 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.11 -34.85 77.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -70.79 -13.84 62.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 74' ' ' SER . 4.0 mm -84.5 -55.23 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.806 HD13 HD12 ' A' ' 10' ' ' ILE . 34.9 mm -63.38 -32.77 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -47.12 -41.52 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -71.03 -36.04 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.806 HD12 HD13 ' A' ' 7' ' ' ILE . 86.5 mt -65.43 -52.08 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -64.2 -41.21 97.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.936 179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.37 70.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.05 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 17' ' ' VAL . 0.6 OUTLIER -81.44 -51.4 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.8 m -51.4 -43.31 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.38 -8.04 42.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.18 -22.15 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 14' ' ' VAL . 2.6 p -71.54 160.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.35 160.01 27.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.85 7.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.37 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -74.53 -13.97 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.9 -66.12 2.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.68 5.32 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.746 2.297 . . . . 0.0 112.345 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HG3' HG12 ' A' ' 104' ' ' VAL . 1.1 mmt180 -68.68 165.67 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 89.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 m -150.47 173.55 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -171.69 127.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.22 -153.12 22.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.0 t -134.91 149.35 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -125.91 159.11 33.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -125.11 105.54 9.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CG1' ' A' ' 63' ' ' VAL . 9.5 mt -94.92 147.84 22.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -139.21 125.71 20.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.542 HG22 ' HB3' ' A' ' 67' ' ' LEU . 4.8 mm -96.02 98.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 39' ' ' VAL . 2.2 tttp -72.18 99.8 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.72 ' HA ' HD22 ' A' ' 67' ' ' LEU . 16.3 p -108.77 -178.59 3.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.3 -22.6 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.16 -22.34 24.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.65 -132.43 2.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 34' ' ' LYS . 24.2 t -144.56 114.8 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.01 110.84 19.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.15 142.62 27.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' CE2' HG13 ' A' ' 7' ' ' ILE . 77.3 m95 -138.98 146.03 40.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.0 mt -111.15 134.14 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -137.46 137.66 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -111.42 125.35 53.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 46' ' ' LEU . 7.0 mp -72.91 -51.29 19.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.12 -66.43 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.65 ' C ' HD22 ' A' ' 49' ' ' LEU . 29.0 mt-30 -95.75 -167.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.0 mm? -120.97 64.09 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -120.48 164.74 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.562 HG21 ' HG2' ' A' ' 11' ' ' LYS . 54.9 t -146.25 129.46 9.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.81 157.75 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -103.2 135.36 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.87 -159.54 16.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.51 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.4 p -114.33 116.88 53.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -52.78 147.15 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.4 65.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -168.46 76.03 0.83 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.678 0.751 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 159.42 53.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -77.05 -35.1 57.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.796 HG11 ' HB2' ' A' ' 98' ' ' ALA . 16.8 t -145.02 151.82 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -126.99 100.8 6.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.683 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.6 p -100.59 142.82 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.5 m -123.58 127.58 48.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.727 HG12 ' HA ' ' A' ' 89' ' ' ILE . 3.0 m -141.25 165.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.65 138.91 14.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -49.61 -31.73 11.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -71.24 -41.23 70.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -57.66 -55.47 34.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.92 -33.87 76.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.422 HD23 ' C ' ' A' ' 71' ' ' LEU . 10.2 tt -53.09 -40.7 64.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.707 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -71.63 -31.36 66.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.24 -61.88 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.412 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -56.05 -25.28 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.51 3.43 73.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 tttm 63.82 56.7 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 56.8 m -138.34 -58.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.707 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.8 mt -88.62 169.87 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.0 p -129.12 153.91 47.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.616 ' HB ' HG21 ' A' ' 105' ' ' ILE . 74.0 t -50.78 -47.29 29.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.83 61.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.504 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -64.46 -56.86 11.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.88 68.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -69.6 -50.43 44.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.33 -40.42 82.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -70.57 -39.21 74.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.97 27.5 8.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -76.8 -31.37 56.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.727 ' HA ' HG12 ' A' ' 65' ' ' VAL . 12.4 mt -86.47 126.85 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -92.79 147.89 22.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -114.03 143.89 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.3 m -173.25 137.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.01 -104.93 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.22 78.75 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -37.28 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.35 -47.18 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.34 -52.79 20.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.796 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -53.14 -28.98 28.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.35 96.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.06 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -42.68 66.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.3 tp -58.54 -38.71 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.68 -30.57 62.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -75.2 -50.6 15.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.453 HG12 ' HG3' ' A' ' 23' ' ' ARG . 28.2 m -52.69 -27.19 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.616 HG21 ' HB ' ' A' ' 80' ' ' VAL . 45.9 mm -88.1 -33.87 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.07 -178.78 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t60 63.11 34.59 13.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.07 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -129.7 115.73 17.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 61.17 97.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.423 ' CB ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.734 ' O ' HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER 64.08 109.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.507 HG22 HG21 ' A' ' 33' ' ' ILE . 75.4 t -71.3 -29.14 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -63.75 -44.66 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 2' ' ' SER . 3.9 t -62.93 -14.08 42.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.596 HD13 HG23 ' A' ' 5' ' ' THR . 4.3 mm -83.37 -52.95 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.175 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.476 HG22 ' HG3' ' A' ' 11' ' ' LYS . 25.8 mm -73.91 -34.11 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.8 -46.16 30.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.2 mtt85 -68.75 -32.28 71.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.3 mt -68.14 -55.66 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -61.97 -49.2 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.44 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . 14.7 mmm180 -80.88 -44.07 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ILE . 74.5 t -47.96 -42.43 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.9 -28.22 39.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.73 -31.04 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.073 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ARG . 89.4 t -50.19 144.7 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.27 157.39 33.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.612 0.72 . . . . 0.0 110.857 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.72 6.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -77.68 -14.05 59.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.91 -69.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HA ' HG21 ' A' ' 104' ' ' VAL . 53.9 Cg_endo -69.77 -166.0 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' HG2' HG23 ' A' ' 104' ' ' VAL . 11.1 mmt180 -67.39 162.23 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -66.43 86.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.41 HG11 ' CB ' ' A' ' 100' ' ' LYS . 30.6 m -152.77 173.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 47' ' ' LYS . 1.8 pt? -174.31 122.2 0.28 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.89 -141.41 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.85 145.67 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.141 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 22.6 m-85 -124.74 158.94 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -118.88 100.23 7.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' CG1' ' A' ' 63' ' ' VAL . 6.7 mt -85.75 147.36 26.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.69 128.78 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.593 HG21 HD23 ' A' ' 67' ' ' LEU . 4.5 mm -94.43 161.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' HA2' ' A' ' 66' ' ' GLY . 12.5 tttt -117.64 106.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.9 t -131.62 169.44 16.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.17 -23.81 63.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.43 -17.71 47.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' H ' HG23 ' A' ' 35' ' ' THR . . . 148.98 -125.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 33' ' ' ILE . 22.8 t -146.98 114.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.118 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' HG21 ' A' ' 3' ' ' VAL . 8.1 mp0 -77.97 111.77 14.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.13 134.8 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -132.34 148.07 52.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.7 mt -112.81 129.78 67.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.178 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG12 ' HB2' ' A' ' 29' ' ' PHE . 2.3 p -131.84 139.63 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -113.45 142.91 45.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -96.18 -43.17 7.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HD2' HD12 ' A' ' 26' ' ' LEU . 11.3 mtmt -44.44 -64.9 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -105.07 -167.67 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.756 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -113.0 76.57 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.35 162.58 34.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.535 HG21 ' HG2' ' A' ' 11' ' ' LYS . 24.8 t -147.84 142.27 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.72 160.81 38.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -106.53 140.68 39.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.42 -155.74 16.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.8 t -111.14 120.66 62.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 111.088 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -58.04 143.9 41.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.15 54.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 t -172.15 78.99 0.47 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.9 48.01 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -85.53 -36.58 20.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 98' ' ' ALA . 36.8 t -147.87 139.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 m -107.67 126.44 52.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.661 HG22 HG22 ' A' ' 89' ' ' ILE . 1.4 p -122.2 144.51 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.96 131.99 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.539 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.4 p -149.99 150.58 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' ' HB3' ' A' ' 34' ' ' LYS . . . -88.0 169.87 38.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -65.35 -54.26 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.336 . . . . 0.0 110.925 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.24 -51.76 31.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.01 -54.03 41.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.5 mmt -63.52 -24.5 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.423 HD23 ' CB ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -61.03 -51.44 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -59.37 -29.39 67.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.5 mt -79.65 -63.35 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.1 p -56.33 -29.47 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.13 -0.86 66.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 tttt 64.75 56.83 1.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.5 m -133.67 -59.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.0 mt -89.19 169.66 11.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -118.29 149.7 40.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.829 HG11 HD13 ' A' ' 105' ' ' ILE . 74.0 t -49.6 -42.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -60.46 -38.85 95.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.646 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -63.01 -53.11 59.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.83 -33.94 69.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.521 HD22 ' HB1' ' A' ' 102' ' ' ALA . 8.1 tp -68.64 -45.7 71.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -62.05 -37.85 86.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.22 -41.89 73.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.77 26.97 6.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.77 -33.39 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.661 HG22 HG22 ' A' ' 63' ' ' VAL . 1.9 mt -99.8 115.37 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -92.03 148.62 22.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.582 HD21 ' CB ' ' A' ' 98' ' ' ALA . 7.0 mt -111.87 171.37 7.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -172.53 133.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.03 -117.71 5.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.18 67.48 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.326 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -45.44 -37.14 4.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -51.52 -48.23 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -54.87 -59.65 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.582 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -59.03 -28.98 66.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.062 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -57.99 -39.83 79.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' CB ' HG11 ' A' ' 25' ' ' VAL . 20.5 mmtm -63.27 -32.04 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.749 ' O ' HG12 ' A' ' 104' ' ' VAL . 0.1 OUTLIER -79.27 -46.56 17.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.521 ' HB1' HD22 ' A' ' 84' ' ' LEU . . . -67.73 -32.18 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -75.66 -34.8 60.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -53.08 -23.48 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.829 HD13 HG11 ' A' ' 80' ' ' VAL . 2.8 mp -89.4 -54.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.42 169.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -166.01 32.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.82 -169.9 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -126.35 176.52 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.99 173.24 6.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.644 ' CB ' HD11 ' A' ' 71' ' ' LEU . 13.4 ttm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -176.04 110.41 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.671 HG11 ' OE1' ' A' ' 40' ' ' GLU . 52.9 t -52.57 -37.99 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.74 -38.86 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 m -67.47 -13.4 62.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mm -84.72 -55.2 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.747 HD13 HD12 ' A' ' 10' ' ' ILE . 33.6 mm -64.81 -35.99 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.47 -46.12 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.44 -32.88 73.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 96.6 mt -68.43 -56.02 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HG2' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -63.4 -44.66 94.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -41.89 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -31.36 37.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ILE . 43.2 t -64.68 -37.09 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.01 -7.31 81.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.21 -22.72 7.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 14' ' ' VAL . 4.7 p -72.61 145.73 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.98 158.72 33.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -40.83 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -78.63 -13.7 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -67.53 1.69 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.431 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -170.6 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.355 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.9 mmt180 -68.46 165.24 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -65.71 88.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 m -151.16 165.5 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD12 ' HD3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -175.34 113.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' LYS . . . -171.69 -142.33 3.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.464 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 t -146.29 149.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' HE2' HD23 ' A' ' 97' ' ' LEU . 6.3 m-85 -134.26 144.57 48.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -108.86 101.84 10.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -98.1 142.36 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -129.04 125.32 37.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 mm -84.13 152.21 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -118.26 99.13 6.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 1.032 HG22 HD13 ' A' ' 67' ' ' LEU . 11.2 p -109.63 174.84 5.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.62 -4.63 46.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.11 -20.52 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.36 -129.29 2.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 33' ' ' ILE . 18.1 t -144.7 118.05 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.342 . . . . 0.0 111.152 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.671 ' OE1' HG11 ' A' ' 3' ' ' VAL . 8.0 mt-10 -91.92 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -85.48 142.57 29.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.44 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.9 m95 -139.83 147.42 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.1 mt -112.97 129.0 69.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.48 139.59 51.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -117.99 141.23 48.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 -40.4 8.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.66 ' HD3' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -44.7 -63.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -110.19 -175.67 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' HB3' HG12 ' A' ' 14' ' ' VAL . 2.1 mm? -102.91 76.43 1.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.92 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.575 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.7 t -145.7 141.74 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 159.27 42.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -106.87 144.0 34.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.24 -157.03 15.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.5 p -112.52 118.46 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -52.7 148.52 7.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.8 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -167.8 74.45 0.93 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.34 57.31 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -71.35 -42.7 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 97' ' ' LEU . 8.7 t -147.99 152.25 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.3 m -111.58 111.67 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -108.51 146.21 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -123.9 140.5 52.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.7 ' CG1' HG23 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -145.61 169.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -89.12 149.78 20.99 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 35' ' ' THR . 7.4 tp -58.13 -42.27 85.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.32 -40.44 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.41 -58.42 6.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -24.41 39.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.644 HD11 ' CB ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -68.45 -48.2 65.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.703 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.98 -39.61 95.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -74.83 -63.37 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -56.29 -25.84 49.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.65 4.41 69.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt 64.24 56.52 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.859 0.361 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.72 -58.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.703 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.49 169.92 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.8 p -127.12 156.51 41.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG21 HG13 ' A' ' 105' ' ' ILE . 64.9 t -51.14 -47.15 32.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.88 -44.09 61.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.581 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.2 -55.15 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.83 0.348 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.06 -33.49 69.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.14 -49.06 54.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -61.91 -39.88 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -74.92 -37.21 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.97 30.7 6.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.82 -33.48 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.303 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.7 HG23 ' CG1' ' A' ' 65' ' ' VAL . 11.1 mt -96.53 119.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -95.92 147.56 23.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.16 159.46 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.23 111.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 94.3 146.03 19.44 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.496 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.7 OUTLIER 42.29 86.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.26 72.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -56.41 5.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -53.83 -53.51 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.53 -30.3 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.92 -33.84 64.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -53.4 -51.26 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 104' ' ' VAL . 9.0 tp -56.75 -28.93 62.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.52 -52.93 7.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.72 -35.45 78.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 101' ' ' LEU . 1.8 p -56.03 -20.71 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.56 HG13 HG21 ' A' ' 80' ' ' VAL . 33.1 mm -84.19 -41.48 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -73.49 129.18 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 53.11 35.84 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.86 136.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.2 m170 52.98 89.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -73.16 84.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.727 ' O ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER 179.85 113.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.831 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.739 HG21 ' OE2' ' A' ' 40' ' ' GLU . 69.3 t -49.39 -29.57 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -42.3 90.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -65.88 -11.88 50.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.5 HG23 ' CB ' ' A' ' 74' ' ' SER . 5.1 mm -83.34 -55.17 7.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.623 HG23 HG11 ' A' ' 51' ' ' VAL . 30.6 mm -59.99 -42.63 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.34 -47.46 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -33.05 73.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 14' ' ' VAL . 95.7 mt -70.56 -43.71 77.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.655 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.6 mtmt -71.75 -42.11 67.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.93 -30.59 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.813 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.6 mmm180 -80.83 -55.27 4.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 10' ' ' ILE . 8.5 m -46.65 -46.31 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 14' ' ' VAL . . . -51.73 -29.23 25.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.59 -32.39 11.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 13' ' ' ARG . 21.9 t -58.86 155.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -100.02 157.82 33.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.641 0.734 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -40.16 5.62 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.76 -13.23 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.384 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.96 159.16 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.36 87.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 100' ' ' LYS . 33.0 m -151.8 173.56 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HD3' ' A' ' 47' ' ' LYS . 1.6 pt? -171.43 121.99 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.54 -135.03 2.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.1 150.46 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -129.13 153.99 47.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -120.08 101.89 8.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 33' ' ' ILE . 2.3 pp -98.32 145.01 27.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -126.43 128.96 47.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 31' ' ' LEU . 8.7 mm -94.46 107.15 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -74.41 99.14 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.805 HG22 HD13 ' A' ' 67' ' ' LEU . 13.2 p -101.15 169.67 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.44 -4.42 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -112.0 -18.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.86 -134.19 3.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.0 t -146.19 114.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.78 0.324 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.739 ' OE2' HG21 ' A' ' 3' ' ' VAL . 3.8 mt-10 -89.18 111.77 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -85.69 142.03 29.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -138.82 144.86 39.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.4 mt -107.65 137.76 37.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.84 138.0 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.98 138.34 46.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.43 -45.39 10.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.514 ' HD3' HD12 ' A' ' 26' ' ' LEU . 13.2 mttt -44.31 -64.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.65 -168.14 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.1 mm? -116.88 69.73 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 166.08 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 11' ' ' LYS . 77.3 t -144.84 137.72 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.1 157.48 46.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -104.31 139.99 38.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.15 -159.21 14.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.05 116.46 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 0.0 111.166 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.47 147.63 5.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -28.98 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 t -167.63 75.89 0.95 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.614 0.721 . . . . 0.0 110.82 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.21 61.2 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.06 -42.61 69.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 92' ' ' SER . 19.2 t -148.25 144.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.3 m -110.3 113.59 26.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 89' ' ' ILE . 2.1 p -110.23 143.99 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.4 m -123.44 134.29 53.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.5 p -144.97 149.13 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.06 151.32 42.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.805 HD13 HG22 ' A' ' 35' ' ' THR . 7.1 tp -66.16 -43.67 86.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -70.03 -45.65 66.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.06 -56.08 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 18.0 tpp -55.14 -37.7 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -54.35 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.946 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -54.93 -32.41 61.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -75.85 -62.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.5 ' CB ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -56.64 -22.06 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.74 9.38 65.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.83 56.39 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.49 -57.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.946 HD12 ' HB3' ' A' ' 72' ' ' ALA . 3.6 mt -87.46 169.41 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.83 157.06 43.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -55.06 -30.36 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.59 ' HA2' HD12 ' A' ' 105' ' ' ILE . . . -65.9 -46.54 81.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.489 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.489 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -58.33 -46.43 86.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' A' ' 89' ' ' ILE . . . -66.12 -34.68 78.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' HG ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -70.67 -50.49 36.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -44.05 92.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -71.75 -39.0 70.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.91 31.36 5.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.537 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -76.87 -33.28 57.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.726 0.298 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.626 HG22 HG22 ' A' ' 63' ' ' VAL . 1.2 mt -99.12 119.18 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -92.3 149.27 21.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -113.44 163.58 14.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.456 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.8 t -173.09 159.78 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.2 -115.12 5.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -90.35 69.61 7.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.806 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.99 -36.56 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 0.3 OUTLIER -52.17 -47.54 65.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CB ' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -59.49 -53.62 55.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.12 -29.83 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.64 -30.71 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -56.41 -28.55 59.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -81.2 -55.65 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -57.35 -45.5 84.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -51.44 -32.03 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 100' ' ' LYS . 50.1 t -53.54 -23.67 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.59 HD12 ' HA2' ' A' ' 81' ' ' GLY . 16.9 tt -50.0 -32.11 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.35 -75.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 15.7 t60 63.66 106.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.62 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -56.9 110.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.04 90.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' N ' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.772 0.32 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 65.82 114.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -68.33 -32.75 56.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -63.19 -40.28 97.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.2 p -66.17 -13.39 60.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.7 mm -84.7 -54.49 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 10' ' ' ILE . 22.6 mm -68.96 -31.44 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.55 -45.21 26.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 mtt-85 -63.23 -34.99 78.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.862 ' O ' HG22 ' A' ' 14' ' ' VAL . 45.0 mt -66.98 -50.31 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -63.35 -42.86 98.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -34.16 75.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.752 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.2 tpt180 -78.26 -56.55 4.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.862 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.5 m -52.92 -45.62 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.19 -12.08 79.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -96.9 -31.91 12.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 13' ' ' ARG . 40.2 t -49.39 150.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.56 142.78 71.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.561 0.696 . . . . 0.0 110.853 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.74 10.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -78.59 -15.32 58.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.28 61.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -122.16 158.67 28.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.38 83.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.579 ' HB ' HD23 ' A' ' 46' ' ' LEU . 22.0 m -155.07 163.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.3 112.71 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.57 -148.57 19.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 t -143.41 149.04 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.74 157.17 39.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -125.18 105.44 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.733 HD23 ' CG1' ' A' ' 63' ' ' VAL . 11.7 mt -94.01 148.35 22.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.557 HD21 HG22 ' A' ' 62' ' ' THR . 2.4 m-20 -139.96 126.24 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.612 HG22 ' HB3' ' A' ' 67' ' ' LEU . 3.9 mm -95.5 100.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -72.58 100.08 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.743 ' HA ' HD22 ' A' ' 67' ' ' LEU . 15.0 p -109.99 -179.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.1 -24.78 51.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -21.62 27.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.26 -133.89 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 34' ' ' LYS . 21.8 t -144.5 114.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -84.7 110.62 18.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.73 141.71 28.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -138.03 146.79 43.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.2 mt -112.66 134.99 53.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 p -137.46 134.67 46.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -105.4 128.4 53.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.7 mp -73.9 -56.38 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -41.89 -69.14 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -89.76 174.47 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD22 ' N ' ' A' ' 49' ' ' LEU . 2.6 mm? -107.37 67.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.4 165.39 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 11' ' ' LYS . 55.3 t -145.3 134.46 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.53 157.12 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.94 135.79 42.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 -159.46 15.01 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.7 p -115.42 117.24 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -53.0 147.94 8.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.86 68.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -166.51 74.57 1.15 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 159.7 52.45 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -75.46 -35.75 60.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.804 HG11 ' HB2' ' A' ' 98' ' ' ALA . 14.3 t -145.59 151.38 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.557 HG22 HD21 ' A' ' 32' ' ' ASN . 1.9 m -126.48 105.67 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.733 ' CG1' HD23 ' A' ' 31' ' ' LEU . 1.4 p -106.24 139.39 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -124.82 114.29 19.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 89' ' ' ILE . 4.1 t -128.38 160.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' N ' HG12 ' A' ' 65' ' ' VAL . . . -76.46 148.14 35.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 35' ' ' THR . 2.6 pt? -65.35 -33.87 76.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.13 -55.0 25.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' OD2' ' HB1' ' A' ' 83' ' ' ALA . 1.2 t0 -52.56 -53.59 44.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 11.2 tpp -59.3 -30.95 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.507 HD11 ' N ' ' A' ' 1' ' ' MET . 5.3 tt -54.9 -55.82 26.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -55.18 -29.4 57.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.0 mt -76.89 -59.82 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.704 ' HB3' HG23 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -56.08 -24.47 40.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.81 5.64 74.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.528 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.04 56.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.0 m -139.44 -58.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD12 ' CB ' ' A' ' 72' ' ' ALA . 3.4 mt -89.91 169.82 10.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -127.91 160.32 32.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.487 ' CG2' HG21 ' A' ' 105' ' ' ILE . 73.7 t -54.29 -47.34 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.68 -42.69 59.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.2 OUTLIER -63.25 -55.46 24.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 89' ' ' ILE . . . -58.26 -34.33 70.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 106' ' ' HIS . 7.1 tp -67.72 -40.79 84.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -64.97 -32.45 74.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.92 -43.02 72.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.42 20.1 12.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -76.81 -33.7 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.3 mp -80.3 113.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -92.13 145.63 24.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.44 148.8 32.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.09 119.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.31 -104.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.94 78.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.95 -37.15 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.18 -46.82 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -53.08 17.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.804 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -52.76 -29.69 28.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.27 88.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -28.88 70.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 tp -73.48 -44.99 56.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 -30.42 62.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -73.46 -55.48 6.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.58 -28.61 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.487 HG21 ' CG2' ' A' ' 80' ' ' VAL . 34.7 mm -87.55 -27.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.505 ' CE1' HD22 ' A' ' 84' ' ' LEU . 44.1 p-80 -171.99 133.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 63.47 85.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -107.46 119.99 40.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.0 t60 63.11 90.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -85.4 -59.31 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.765 0.316 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.724 ' O ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER -179.93 113.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.751 HG21 ' OE1' ' A' ' 40' ' ' GLU . 69.7 t -49.45 -29.32 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -42.4 89.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 2' ' ' SER . 1.4 t -66.12 -11.66 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.414 HD13 HG23 ' A' ' 5' ' ' THR . 5.2 mm -83.52 -55.43 7.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' ILE . 27.6 mm -56.15 -43.0 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -47.35 18.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -33.25 75.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.867 ' O ' HG23 ' A' ' 14' ' ' VAL . 41.7 mt -69.19 -53.55 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.72 ' HG2' HG21 ' A' ' 51' ' ' VAL . 3.8 mtmt -62.21 -49.5 75.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.23 -33.95 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.659 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.6 mmm180 -78.9 -46.49 18.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 10' ' ' ILE . 39.9 t -49.56 -45.02 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.16 -21.48 61.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.55 -32.1 11.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 13' ' ' ARG . 63.8 t -49.93 146.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.89 156.9 86.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.03 4.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.244 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -68.79 -19.98 64.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.1 165.7 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.458 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' HB2' HG13 ' A' ' 104' ' ' VAL . 53.8 Cg_endo -69.72 -14.12 35.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.285 . . . . 0.0 112.376 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -147.81 141.5 25.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -67.99 87.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.6 m -151.53 170.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -174.12 122.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.13 -138.54 3.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.3 t -144.96 151.1 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CE1' HD23 ' A' ' 97' ' ' LEU . 11.5 m-85 -134.54 144.8 48.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -112.42 101.88 10.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.69 147.1 24.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' HB2' HG23 ' A' ' 64' ' ' THR . 4.6 m-20 -129.87 130.24 44.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.586 HG22 ' HB3' ' A' ' 67' ' ' LEU . 6.3 mm -92.93 102.86 14.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 103.09 4.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.441 ' HA ' HD22 ' A' ' 67' ' ' LEU . 10.0 t -122.66 166.97 14.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.02 73.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -72.91 -17.84 61.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.95 -126.15 2.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.8 t -146.93 114.29 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.774 0.321 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.751 ' OE1' HG21 ' A' ' 3' ' ' VAL . 2.3 mt-10 -89.33 111.05 21.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.41 134.78 33.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CE2' HG13 ' A' ' 7' ' ' ILE . 78.5 m95 -131.86 146.9 52.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.2 mt -109.84 131.55 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.13 139.17 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -115.68 140.4 49.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.08 -44.17 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.08 -63.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -107.12 -175.97 2.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.735 ' HB3' HG12 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -106.6 74.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.68 162.13 32.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.72 HG21 ' HG2' ' A' ' 11' ' ' LYS . 63.6 t -145.23 139.9 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.73 38.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -108.94 141.47 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.94 -153.71 17.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.03 121.46 62.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.131 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' HB3' ' HD3' ' A' ' 59' ' ' PRO . 4.9 t80 -57.34 149.11 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.51 -28.23 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -169.19 74.67 0.73 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.674 0.75 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 56' ' ' PHE . 53.1 Cg_endo -69.78 155.32 66.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.8 OUTLIER -73.46 -43.71 59.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -147.73 149.82 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -112.04 99.21 7.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 p -93.82 147.33 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.433 HG23 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -124.1 136.32 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.509 HG23 HD13 ' A' ' 89' ' ' ILE . 3.9 p -151.7 149.9 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.43 149.95 47.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.586 ' HB3' HG22 ' A' ' 33' ' ' ILE . 2.6 pt? -65.35 -34.0 77.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.35 -57.5 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.45 -49.94 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.491 ' HG3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -51.61 -41.6 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.93 -40.55 96.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -62.54 -44.35 96.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 19.2 mt -74.67 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 t -55.76 -24.51 35.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.32 9.95 65.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt 63.31 56.57 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.56 -59.48 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 72' ' ' ALA . 2.7 mt -94.62 169.95 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.8 p -124.01 149.39 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CD1' ' A' ' 105' ' ' ILE . 71.1 t -49.14 -43.3 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.07 92.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.527 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -64.89 -53.93 38.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.865 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.75 -34.07 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -67.62 -46.51 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -61.5 -38.77 88.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -72.47 -40.17 67.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.83 9.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -76.81 -32.48 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.509 HD13 HG23 ' A' ' 65' ' ' VAL . 8.3 mm -83.08 148.13 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -109.07 149.81 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.75 172.08 7.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.3 -164.86 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -55.98 -171.93 0.12 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 43.4 68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.65 -38.01 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -52.5 58.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -59.0 -58.23 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.45 -35.0 60.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.25 -41.1 64.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.717 ' O ' HG23 ' A' ' 104' ' ' VAL . 0.3 OUTLIER -52.61 -28.11 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.3 tp -78.3 -38.06 43.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.62 -47.09 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.078 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -51.99 -33.42 38.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 100' ' ' LYS . 70.5 t -52.41 -44.16 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.559 ' CD1' HG21 ' A' ' 80' ' ' VAL . 5.2 mp -88.84 -40.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -99.3 114.63 27.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -117.58 90.31 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -145.86 166.42 26.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -153.12 159.24 42.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -136.3 143.61 44.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -178.29 111.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.61 -37.39 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -40.79 95.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 m -65.83 -14.48 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.635 HG23 ' OG ' ' A' ' 74' ' ' SER . 3.8 mm -84.38 -54.17 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.678 HD13 HD12 ' A' ' 10' ' ' ILE . 23.8 mm -72.86 -31.93 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.141 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.19 -43.98 32.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -65.06 -33.98 77.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.847 ' O ' HG22 ' A' ' 14' ' ' VAL . 74.4 mt -66.8 -49.24 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 1.5 mtmt -63.4 -42.44 98.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.27 73.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.745 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.6 tpt180 -79.72 -55.19 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.847 HG22 ' O ' ' A' ' 10' ' ' ILE . 6.7 m -52.07 -44.99 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.73 -13.09 68.41 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.522 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.37 -32.28 10.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 13' ' ' ARG . 45.2 t -51.49 151.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.44 156.84 1.93 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.712 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.2 11.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -67.95 -25.17 65.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.06 82.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 73.79 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.22 122.78 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.84 85.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.802 ' HB ' HD23 ' A' ' 46' ' ' LEU . 15.3 m -152.94 158.53 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.28 113.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.62 -153.43 25.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 44' ' ' VAL . 4.1 t -144.63 144.52 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.154 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.733 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 22.9 m-30 -121.28 162.49 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -124.86 100.84 6.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.8 mm? -84.73 147.85 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -144.91 124.96 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 39' ' ' VAL . 14.0 mm -87.85 149.81 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.68 98.99 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.486 ' HB ' HD13 ' A' ' 67' ' ' LEU . 6.3 t -130.49 164.54 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.13 -29.78 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -72.93 -16.95 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.55 -127.83 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 33' ' ' ILE . 17.9 t -149.99 116.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.5 112.29 22.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.45 139.2 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -137.19 143.03 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.0 135.99 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.5 p -137.23 138.66 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.88 131.13 55.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.802 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.0 mp -75.96 -57.23 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.91 -66.54 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -92.73 174.14 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 49' ' ' LEU . 3.3 mm? -107.91 69.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.73 164.9 21.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 11' ' ' LYS . 53.4 t -145.54 131.38 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.76 156.32 37.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.52 132.9 48.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.35 -154.71 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.3 p -115.7 121.07 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -55.34 146.01 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.78 67.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -167.86 75.04 0.92 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.65 52.66 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.11 -28.85 23.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 98' ' ' ALA . 15.6 t -146.08 152.25 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 m -129.19 109.35 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 31' ' ' LEU . 2.2 p -113.01 144.81 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -123.48 137.2 54.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HB ' HG23 ' A' ' 89' ' ' ILE . 7.7 p -150.56 150.38 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.35 153.4 52.91 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD13 ' HB ' ' A' ' 35' ' ' THR . 2.5 pt? -65.42 -34.62 78.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -71.58 -43.42 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.6 -57.4 10.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.487 ' HB3' HG21 ' A' ' 6' ' ' ILE . 3.9 mmt -58.43 -29.39 66.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -56.56 -52.54 64.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.03 67.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 70' ' ' MET . 18.5 mt -76.11 -61.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.635 ' OG ' HG23 ' A' ' 6' ' ' ILE . 1.9 p -56.34 -27.6 56.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.0 3.74 78.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.45 56.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.8 m -131.77 -60.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 82' ' ' ASP . 3.3 mt -92.32 169.57 10.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.5 p -122.55 153.88 38.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -51.78 -41.8 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.421 ' HA2' HD12 ' A' ' 105' ' ' ILE . . . -59.13 -40.29 95.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.64 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -62.75 -54.12 44.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.36 -34.02 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 84' ' ' LEU . 8.0 tp -69.02 -49.23 59.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -40.19 81.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.69 -41.01 79.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.54 28.36 7.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.9 -33.53 57.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.428 HG23 ' HB ' ' A' ' 65' ' ' VAL . 2.5 mt -92.24 123.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.9 149.16 21.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 mt -110.87 150.04 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -173.23 138.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 101.8 -105.14 2.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.07 77.2 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.97 -38.45 4.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.518 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.1 t0 -56.85 -49.3 75.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.481 ' HB3' HG21 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -58.55 -58.76 7.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -57.18 -29.0 63.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -51.72 -34.77 40.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -52.55 -29.31 24.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' ' 104' ' ' VAL . 53.1 mt -76.35 -55.28 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 105' ' ' ILE . . . -51.2 -30.24 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.65 -30.06 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 101' ' ' LEU . 9.9 p -57.37 -23.04 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 102' ' ' ALA . 11.4 tt -51.42 -30.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -67.92 91.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -167.55 172.04 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -110.68 107.82 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -95.73 130.73 42.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 45.3 m80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.569 ' HB2' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -177.57 112.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.535 HG21 ' CD ' ' A' ' 40' ' ' GLU . 75.3 t -67.97 -32.39 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.32 -39.21 93.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 2' ' ' SER . 52.9 p -67.18 -12.75 60.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.615 HG23 ' HB3' ' A' ' 74' ' ' SER . 3.8 mm -85.02 -55.48 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.522 HD13 HD12 ' A' ' 10' ' ' ILE . 25.9 mm -62.4 -33.91 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -46.59 -46.86 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.27 -35.02 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.818 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.6 mt -67.54 -54.07 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.628 ' HG2' HG21 ' A' ' 51' ' ' VAL . 4.0 mtmt -62.34 -46.8 87.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.73 -40.48 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.26 -29.69 38.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 10' ' ' ILE . 54.2 t -66.38 -38.39 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.61 -9.06 82.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.77 -25.26 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 14' ' ' VAL . 5.6 p -79.39 139.26 18.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.76 157.67 33.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.91 11.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.0 -11.09 60.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.44 174.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.22 8.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.06 90.58 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -78.28 89.11 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.649 ' HB ' HD23 ' A' ' 46' ' ' LEU . 14.7 m -145.63 154.65 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.59 114.46 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' O ' HD13 ' A' ' 46' ' ' LEU . . . 146.29 129.6 2.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.55 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 t -62.25 148.24 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -129.5 149.42 51.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -111.4 101.29 9.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CG1' ' A' ' 63' ' ' VAL . 3.5 mm? -84.81 145.74 27.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.1 127.09 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.681 HG21 HD23 ' A' ' 67' ' ' LEU . 4.4 mm -93.68 162.15 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -117.61 108.23 15.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 38' ' ' GLY . 11.0 t -133.2 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.17 -23.03 64.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.28 -18.26 42.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 35' ' ' THR . . . 150.08 -125.16 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 33' ' ' ILE . 24.4 t -147.94 114.59 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.107 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' CD ' HG21 ' A' ' 3' ' ' VAL . 5.9 mp0 -77.12 111.81 13.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.08 137.8 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CE2' HG13 ' A' ' 7' ' ' ILE . 75.2 m95 -135.04 151.28 50.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.3 mt -114.47 131.38 66.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 p -134.51 137.79 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -111.97 108.23 17.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD23 ' HB ' ' A' ' 25' ' ' VAL . 9.7 mp -64.58 -55.65 19.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.18 -64.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.561 ' C ' HD22 ' A' ' 49' ' ' LEU . 33.0 mt-30 -88.71 -169.81 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD22 ' C ' ' A' ' 48' ' ' GLN . 3.1 mm? -122.75 75.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 166.5 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.628 HG21 ' HG2' ' A' ' 11' ' ' LYS . 29.1 t -146.21 139.97 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.16 159.76 41.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -105.41 140.71 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.17 -155.91 15.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 77.5 t -112.99 121.14 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.84 0.353 . . . . 0.0 111.133 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.57 143.88 49.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.91 -26.64 59.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 t -170.13 78.64 0.62 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 161.65 45.12 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.345 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.438 ' OD2' HD13 ' A' ' 97' ' ' LEU . 6.6 t0 -83.66 -33.69 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.68 HG11 ' HB2' ' A' ' 98' ' ' ALA . 21.8 t -146.87 151.32 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 m -121.09 100.48 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.528 ' CG1' HD13 ' A' ' 31' ' ' LEU . 1.9 p -97.66 142.82 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 125.98 46.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' A' ' 89' ' ' ILE . 2.3 m -142.98 169.19 12.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.38 172.47 23.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD23 HG21 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -64.95 -56.09 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 110.882 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -52.68 -47.56 67.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -52.8 -56.07 18.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.532 ' HB3' HG21 ' A' ' 6' ' ' ILE . 1.8 mtt -66.02 -24.11 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 tt -61.44 -43.33 99.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.693 ' CB ' HD12 ' A' ' 78' ' ' LEU . . . -68.79 -33.53 74.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.9 mt -76.34 -63.26 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.615 ' HB3' HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.05 -28.75 58.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.07 -0.83 66.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.518 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 65.03 56.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.1 m -135.83 -58.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.693 HD12 ' CB ' ' A' ' 72' ' ' ALA . 4.1 mt -88.48 169.92 11.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.26 157.88 32.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.558 ' CG1' HG21 ' A' ' 105' ' ' ILE . 39.7 t -57.35 -27.96 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.81 -43.55 58.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.597 ' HB3' HD22 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -61.23 -49.46 77.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.856 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.47 72.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.36 -49.97 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -60.41 -40.93 92.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -74.41 -35.61 63.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.38 32.26 6.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -76.65 -32.26 57.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.625 ' HA ' HG12 ' A' ' 65' ' ' VAL . 5.3 mm -88.37 154.06 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.4 148.91 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -115.6 142.02 47.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.8 110.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.78 -104.83 0.64 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.58 79.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.7 -37.56 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.45 -48.45 62.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.438 HD13 ' OD2' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -69.63 -49.3 55.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.68 ' HB2' HG11 ' A' ' 61' ' ' VAL . . . -55.53 -28.8 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.95 74.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.645 ' O ' HG22 ' A' ' 104' ' ' VAL . 16.1 mmtm -55.68 -43.8 76.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -41.14 97.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HA ' HG22 ' A' ' 105' ' ' ILE . . . -73.35 -29.74 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.01 -50.09 15.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 100' ' ' LYS . 28.3 m -64.24 -38.7 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.558 HG21 ' CG1' ' A' ' 80' ' ' VAL . 9.6 tp -74.29 -20.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.05 169.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -97.99 35.61 1.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.02 -172.71 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -76.54 67.49 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -122.19 150.13 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.2 m80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.996 . . . . . . . . 0 0 . 1 stop_ save_