data_1x6f_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 1x6f _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 33' ' ' SER . 9.9 tp60 -87.95 90.04 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -48.31 149.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 30.79 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -130.04 -39.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.1 p -128.5 -3.91 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.73 46.28 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.8 t -95.75 -175.15 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' C ' HD13 ' A' ' 35' ' ' LEU . 73.1 mttt -135.48 109.64 8.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.2 mp -108.07 159.92 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.74 -57.69 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 29.8 m -154.54 177.82 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' LEU . 13.1 m -46.08 -52.87 11.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.8 -38.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -84.05 -38.53 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.3 tp -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -46.59 -38.37 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -85.56 -50.87 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -47.7 -47.64 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' HIS . 13.6 mt -54.54 -55.59 27.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m-80 -37.72 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.1 mt -53.15 -46.11 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.9 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 32' ' ' ASP . 12.4 tp60 -90.94 92.51 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -45.86 121.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.65 16.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -111.95 -43.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.5 p -125.26 1.29 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.541 ' C ' ' NE2' ' A' ' 27' ' ' GLN . 14.0 m-20 64.5 33.67 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -83.61 -176.4 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.07 125.19 30.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.4 mp -123.78 161.07 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.52 -53.48 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -160.11 174.51 14.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -40.34 -53.38 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.04 -38.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -80.55 -40.72 25.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 11.7 tp -59.78 -48.77 80.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.423 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 32.5 m -48.09 -33.64 8.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -90.45 -36.26 14.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -66.55 -60.18 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.19 -44.5 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.0 m-80 -43.94 -41.69 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.4 mt -50.41 -37.45 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.828 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.519 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -85.81 104.28 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.49 108.5 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 12.82 2.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -100.6 -43.4 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.97 4.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.13 41.55 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 15.0 t -103.33 -174.47 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' C ' HD11 ' A' ' 35' ' ' LEU . 41.8 mttp -135.42 131.71 36.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.1 mp -126.05 158.34 35.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.94 -53.16 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 12.2 m -161.97 174.34 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 38.8 m -41.49 -50.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.5 -38.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -83.61 -40.06 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 11.6 tp -59.64 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 m -44.79 -37.46 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -85.51 -45.59 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.8 -61.0 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -41.22 -49.4 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -40.89 -45.94 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.8 mt -46.53 -45.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.547 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.359 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 35.6 tp60 -96.63 114.02 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -69.04 167.35 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -11.96 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -45.46 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.2 p -115.94 -18.68 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 11.8 t70 71.93 37.62 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -88.94 -176.03 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -126.59 121.68 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.1 mp -120.47 149.05 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -52.96 -55.43 23.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.547 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.1 m -162.38 -177.87 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -45.38 -55.3 6.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.21 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' THR . 36.2 mm-40 -90.16 -38.18 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.1 tp -63.58 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -59.28 -35.55 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -86.22 -44.02 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.81 -44.16 94.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.82 -47.49 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -40.84 -39.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.0 mt -53.85 -45.74 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 102.1 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.0 158.41 2.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.27 6.04 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -105.96 -39.08 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -126.82 -6.97 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.0 46.48 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.08 -174.04 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' C ' HD11 ' A' ' 35' ' ' LEU . 21.6 mttp -133.41 107.7 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' N ' HD11 ' A' ' 35' ' ' LEU . 7.8 mp -105.98 160.04 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -66.8 -59.51 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.7 m -152.69 175.85 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' LEU . 26.1 m -43.34 -53.79 5.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.11 -37.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -80.38 -39.04 29.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.0 tp -63.48 -40.03 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.8 m -53.53 -34.3 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -89.75 -37.27 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.4 -54.91 37.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -52.54 -40.35 62.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -51.62 -35.85 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.1 -26.39 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.99 105.69 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.37 118.45 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.97 11.2 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -104.51 -43.87 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.0 -11.39 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 74.71 44.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -95.47 -174.52 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -132.06 125.2 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.9 mp -123.87 149.43 45.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -56.29 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -155.78 177.12 11.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 85.5 m -46.58 -49.58 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.59 -37.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.45 -39.06 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.5 tp -61.74 -42.99 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.7 m -51.0 -30.87 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -94.45 -41.27 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -58.49 -49.6 76.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.38 -44.07 65.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.68 -37.82 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.9 mt -53.01 -30.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 24.5 tp60 -84.68 99.3 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.67 119.11 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 16.1 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -108.78 -46.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.6 p -125.05 6.63 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.9 m-20 64.49 26.66 13.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -81.33 -174.53 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -135.35 129.91 34.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.0 mp -123.98 160.5 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -61.61 -57.62 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 34.1 m -148.44 -178.12 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -58.12 -35.43 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.118 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 38' ' ' THR . . . -51.44 -38.62 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -77.86 -33.2 52.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.7 tp -65.44 -42.33 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -51.28 -35.99 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 3.4 m -89.98 -46.36 8.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -50.88 -53.11 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.93 -48.02 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 84.2 m-20 -44.81 -45.72 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.68 -34.46 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.3 m-85 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.855 0.36 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.07 99.35 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.25 122.33 16.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 22.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -118.11 -38.55 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.57 -1.22 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.05 38.92 8.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -91.73 -174.56 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -135.03 125.43 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 10.0 mp -125.48 159.91 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -62.78 -52.55 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.469 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 t -166.63 174.85 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' LEU . 90.2 m -38.17 -54.21 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.16 -44.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.84 -37.66 34.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.4 tp -60.93 -33.84 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -61.79 -34.09 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.1 t -88.37 -40.35 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -64.36 -45.85 85.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.21 -42.72 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -45.13 -40.26 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -53.65 -36.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.72 104.1 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.66 123.63 17.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 2.2 pptp? -87.1 35.17 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -132.61 -41.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.5 p -127.52 -2.04 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.56 47.92 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 t -97.68 -174.69 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -134.78 127.19 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.2 mp -123.73 153.1 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.21 -57.12 14.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.9 m -152.32 174.36 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' LEU . 89.2 m -45.62 -49.97 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.34 -37.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -36.57 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 tp -65.29 -39.4 92.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 22.8 m -54.77 -32.07 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -94.37 -40.83 9.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.29 -45.92 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.77 -44.95 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 42' ' ' THR . 20.2 m-80 -45.38 -39.44 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.8 mt -52.02 -36.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 3.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.84 0.352 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.9 109.63 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -62.67 161.76 11.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.29 -1.53 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -99.35 -37.78 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -127.54 -8.04 5.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.98 38.47 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -87.09 -174.86 5.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -128.89 128.21 43.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.4 mp -125.81 160.31 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.48 -61.93 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 26.7 p -143.43 177.3 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -53.17 -40.93 64.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -47.11 -40.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -73.56 -35.94 65.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.2 tp -64.16 -42.28 96.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.2 m -50.94 -36.57 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -88.38 -44.46 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -52.13 -45.07 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.19 -52.02 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -39.1 -42.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.83 -53.84 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.885 0.374 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 104.83 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.69 139.86 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.21 28.87 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -129.4 -40.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.98 -8.99 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 69.04 46.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -96.07 -175.0 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -133.15 123.86 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.7 mp -121.55 160.89 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -65.21 -59.09 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.5 m -154.41 174.3 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 m -42.36 -49.83 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.35 -39.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.26 -40.64 30.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.2 tp -58.95 -46.08 88.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.4 m -51.26 -33.29 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -89.06 -37.86 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -65.17 -59.95 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.09 -48.58 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -39.66 -40.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.1 mt -51.81 -50.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.811 0.339 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -87.65 118.55 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.78 160.34 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -9.54 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.67 -46.92 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.81 -12.6 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 67.44 42.05 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.6 t -90.38 -174.29 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -129.56 124.6 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.1 mp -123.5 160.49 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -62.53 -59.67 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.565 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 49.6 m -152.71 176.39 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -46.94 -38.27 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -50.23 -39.51 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -76.02 -39.17 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.7 tp -60.88 -40.66 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -53.25 -36.05 60.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.402 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 39.6 m -87.86 -42.86 12.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.26 -56.3 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.825 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.9 mt -45.6 -48.32 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 92.3 m-20 -39.65 -41.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mt -51.62 -48.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.811 0.338 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.07 104.6 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -63.39 126.92 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 18.96 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 6.2 m80 -112.65 -37.95 4.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -133.11 -0.41 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.41 43.02 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 t -93.75 -174.86 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -134.46 124.6 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.4 mp -121.57 160.7 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -67.4 -64.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 11.2 p -141.92 177.77 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 m -50.31 -47.74 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.2 -39.48 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -76.25 -37.06 58.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.8 tp -66.53 -35.05 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -58.17 -29.67 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 m -94.13 -41.04 9.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -62.48 -44.6 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -56.61 -45.03 81.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.09 -43.85 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -48.04 -38.61 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 35.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -123.48 103.05 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.76 123.13 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -90.92 32.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -128.74 -40.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -125.22 -9.85 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.42 46.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -103.31 -174.56 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -132.62 129.54 39.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.5 mp -125.84 161.87 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.47 -47.39 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.533 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m -173.67 -177.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -41.01 -61.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -31.68 -36.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 30.9 mm-40 -86.46 -43.06 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.8 tp -60.43 -51.03 71.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 97.7 m -46.15 -38.17 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -82.68 -53.03 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -49.39 -36.2 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.03 -44.47 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.6 m120 -46.17 -37.33 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.68 -36.49 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -94.48 92.42 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -46.29 118.63 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HD2' ' ND1' ' A' ' 30' ' ' HIS . 2.8 pptp? -84.25 31.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -128.57 -42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.03 -10.75 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 74.76 42.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -96.91 -175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -134.52 120.03 19.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.5 mp -116.53 161.42 19.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -69.66 -60.48 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -149.08 176.24 10.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LEU . 31.8 m -46.24 -51.6 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.38 -39.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -80.96 -38.36 27.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.1 tp -62.19 -46.06 90.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -50.16 -34.62 23.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -88.2 -44.3 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -55.52 -55.07 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.11 -49.59 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -40.9 -40.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.2 mt -55.72 -52.01 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.8 m-85 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -85.03 95.84 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.93 112.13 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.62 14.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.75 -51.28 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -119.51 4.94 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.26 42.22 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 10.4 t -101.78 -174.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -135.5 132.17 36.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.7 mp -124.3 156.85 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HG2' ' CD ' ' A' ' 40' ' ' GLU . 4.9 pt20 -63.76 -41.06 98.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -174.6 173.21 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' LEU . 59.3 m -41.66 -50.93 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.71 -40.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' HG2' ' A' ' 36' ' ' GLN . 10.6 mt-10 -83.24 -36.56 24.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.0 tp -61.63 -45.37 94.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.1 m -48.8 -37.25 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.65 -37.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -61.7 -61.83 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 mt -45.91 -47.87 16.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -40.24 -42.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -52.03 -48.46 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -89.45 95.7 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.69 117.73 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 27.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -120.75 -44.04 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -123.28 -8.56 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 74.79 45.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.74 -174.15 2.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' HD11 ' A' ' 35' ' ' LEU . 29.1 mtmm -134.44 123.71 24.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.4 mp -120.3 150.25 41.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -56.82 -61.07 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 3.4 t -154.04 177.83 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.7 m -42.65 -53.43 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.63 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.3 -38.92 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.8 tp -61.7 -34.44 75.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.8 m -60.55 -34.13 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -89.33 -39.28 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.62 -46.91 80.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.03 -40.81 86.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -46.69 -37.22 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.36 -33.38 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -98.42 127.48 44.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -83.32 164.06 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -115.17 -9.9 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -89.88 -38.21 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -128.79 -10.22 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 65.16 42.0 4.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -89.13 -171.7 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' C ' HD12 ' A' ' 35' ' ' LEU . 29.4 mtmm -129.72 111.99 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 35' ' ' LEU . 10.5 mp -110.74 140.22 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -46.79 -56.98 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 1.8 t -161.33 179.38 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' GLU . 19.9 m -42.88 -53.59 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -33.11 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.1 mt-10 -89.34 -42.38 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 35' ' ' LEU . 12.4 tp -56.84 -43.68 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -52.93 -37.68 61.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -83.52 -46.0 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' CB ' HD21 ' A' ' 35' ' ' LEU . 86.3 t60 -57.77 -58.07 9.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.3 -50.58 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -42.57 -44.54 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 mt -51.29 -37.97 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -93.04 89.74 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 t -45.34 141.49 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 21.29 15.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -117.62 -35.57 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.1 -1.14 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.44 40.26 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -87.71 -174.93 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' HD13 ' A' ' 35' ' ' LEU . 52.9 mttt -136.08 111.45 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.8 mp -109.47 161.99 14.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.51 -67.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 p -138.84 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 m -49.69 -46.52 50.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.06 -34.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.4 tp -63.85 -36.12 82.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -57.36 -34.52 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -90.56 -42.99 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -58.8 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.31 -47.41 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -41.06 -40.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.7 mt -49.33 -48.98 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.851 0.357 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -102.74 98.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.14 131.51 47.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.68 17.17 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -111.9 -50.32 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -118.15 -1.58 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.63 41.18 5.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.7 p -93.34 177.23 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -128.69 119.55 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 5.4 mp -118.22 144.74 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.76 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -164.88 177.69 7.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' LEU . 28.8 m -41.54 -52.3 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.01 -38.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -82.85 -39.99 20.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 11.1 tp -59.9 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.4 m -45.91 -35.66 4.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -85.73 -44.6 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -60.46 -60.57 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -51.13 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -38.7 -40.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.6 -48.72 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t 45.24 42.08 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -143.5 175.21 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.81 75.28 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -144.03 164.51 30.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -141.51 166.74 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.23 53.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -134.47 97.45 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -174.52 114.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -140.45 176.51 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -128.55 169.95 13.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -113.19 168.94 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.5 mm -144.66 126.53 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.0 mm -135.79 105.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 tp -171.6 139.19 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.16 87.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.655 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 1.8 p-10 -101.08 -67.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.655 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 60.72 147.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 2.39 3.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.83 174.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 20' ' ' ARG . 1.7 mp -140.09 148.89 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -63.55 145.79 54.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.77 107.05 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m 38.52 43.71 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -95.37 155.34 16.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -105.44 112.86 26.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 33' ' ' SER . 9.9 tp60 -87.95 90.04 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -48.31 149.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.27 30.79 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -130.04 -39.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.1 p -128.5 -3.91 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.73 46.28 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.8 t -95.75 -175.15 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' C ' HD13 ' A' ' 35' ' ' LEU . 73.1 mttt -135.48 109.64 8.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.2 mp -108.07 159.92 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.74 -57.69 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 29.8 m -154.54 177.82 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' LEU . 13.1 m -46.08 -52.87 11.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.8 -38.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -84.05 -38.53 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.3 tp -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -46.59 -38.37 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -85.56 -50.87 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -47.7 -47.64 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' HIS . 13.6 mt -54.54 -55.59 27.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m-80 -37.72 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.1 mt -53.15 -46.11 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.9 m-70 -53.15 -48.49 67.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -50.27 -54.94 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.22 -47.19 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -59.34 -33.28 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.89 -41.69 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -50.64 -48.11 58.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 4.2 tmtm? -80.51 -53.96 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LYS . 33.5 tpt85 -49.14 -33.69 12.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.89 79.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -98.6 -176.37 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 -79.02 45.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.74 169.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.93 -60.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -87.58 120.66 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -133.9 99.56 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -147.57 168.62 21.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -147.18 134.26 20.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.78 163.51 21.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -106.11 163.13 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -124.97 86.03 2.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -42.73 145.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -147.84 129.35 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -106.03 170.97 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -162.39 162.61 27.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.85 149.86 24.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -95.64 -50.05 5.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.52 125.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.62 -59.43 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -65.66 126.05 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -168.79 150.27 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -142.04 116.17 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -137.98 144.63 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.76 -52.2 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' SER . 0.0 OUTLIER 40.45 45.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLU . 54.0 p -34.6 123.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.57 -169.88 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 138.34 37.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 88.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -37.64 -43.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.456 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -159.51 145.61 16.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -171.33 145.19 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 -105.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 53.86 50.65 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -93.35 159.28 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.86 162.05 29.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.569 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -174.59 142.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -164.41 125.66 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -141.46 177.08 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -137.93 169.94 16.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -130.74 170.06 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.97 169.85 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 15' ' ' LEU . 86.0 mt -150.0 146.99 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 14' ' ' ILE . 2.9 mm? -124.31 156.71 36.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.02 29.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -138.39 146.28 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.8 151.35 22.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.82 26.29 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -136.87 158.59 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 tp -51.82 132.43 31.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -87.84 165.77 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -116.72 143.14 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 p -84.45 43.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -57.59 136.05 56.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.21 121.16 24.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 32' ' ' ASP . 12.4 tp60 -90.94 92.51 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -45.86 121.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.65 16.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -111.95 -43.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.5 p -125.26 1.29 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.541 ' C ' ' NE2' ' A' ' 27' ' ' GLN . 14.0 m-20 64.5 33.67 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -83.61 -176.4 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -132.07 125.19 30.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.4 mp -123.78 161.07 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.52 -53.48 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -160.11 174.51 14.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -40.34 -53.38 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.04 -38.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -80.55 -40.72 25.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 11.7 tp -59.78 -48.77 80.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.423 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 32.5 m -48.09 -33.64 8.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -90.45 -36.26 14.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -66.55 -60.18 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.19 -44.5 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.0 m-80 -43.94 -41.69 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 78.4 mt -50.41 -37.45 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -74.78 -58.53 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -44.66 -48.75 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 8.3 pt-20 -61.26 -36.13 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -71.83 -40.0 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -46.93 -44.44 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -58.42 -56.0 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.72 -44.58 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ALA . 9.1 tpp180 -38.94 -54.7 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' LYS . . . -35.02 -43.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -35.56 135.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -125.23 169.43 12.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -169.96 126.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -109.4 69.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -129.01 92.82 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -103.39 130.03 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 64' ' ' GLN . 6.9 tmtm? -132.32 146.53 52.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.446 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 27.5 mm-40 -58.99 175.47 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -119.7 168.26 11.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 66' ' ' LEU . 1.4 pt? -142.0 150.69 41.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -167.18 151.54 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -173.27 139.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -156.37 158.48 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -139.97 174.64 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -150.67 171.86 16.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.08 168.36 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -173.88 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.45 122.07 1.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.36 164.98 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -171.92 164.65 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.15 174.16 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -159.54 162.47 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.15 177.79 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -113.83 177.89 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.63 173.06 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.4 m -94.33 171.35 8.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.25 140.1 16.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.15 15.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -65.58 -57.37 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLY . 23.2 t 64.54 43.84 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -63.19 112.64 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -164.63 145.67 7.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.78 -113.49 1.99 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t 63.77 43.73 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -107.59 145.99 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 -175.08 19.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.97 123.69 12.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -105.16 171.82 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -145.65 120.34 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 15.7 m-20 -111.24 105.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 13.4 m-85 -151.37 109.67 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' ILE . 9.7 tp -118.16 -14.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' ILE . 4.8 mp 37.54 54.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -78.86 136.56 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -172.08 100.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -99.74 159.18 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.41 169.34 40.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.27 69.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -121.95 110.88 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mp 56.03 41.78 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 4.0 pm0 -43.81 -41.03 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 22' ' ' GLN . 75.9 m-20 -132.92 156.47 47.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -67.55 132.67 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 p -120.06 132.19 55.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.519 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 -88.69 114.62 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -85.81 104.28 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.49 108.5 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 12.82 2.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -100.6 -43.4 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.97 4.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.13 41.55 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 15.0 t -103.33 -174.47 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' C ' HD11 ' A' ' 35' ' ' LEU . 41.8 mttp -135.42 131.71 36.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.1 mp -126.05 158.34 35.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.94 -53.16 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 12.2 m -161.97 174.34 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 38.8 m -41.49 -50.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.5 -38.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -83.61 -40.06 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 11.6 tp -59.64 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 m -44.79 -37.46 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -85.51 -45.59 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.8 -61.0 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -41.22 -49.4 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -40.89 -45.94 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.8 mt -46.53 -45.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -60.33 -55.95 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -41.38 -57.24 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -56.03 -46.64 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.87 -37.7 77.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.85 -50.07 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.39 -50.77 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -57.32 -43.22 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -66.62 -60.97 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 41.43 42.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -102.62 41.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -49.41 125.85 11.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -78.91 158.93 27.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -75.19 88.31 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.68 152.04 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -41.52 132.84 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -59.11 170.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -97.44 122.63 40.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.42 147.65 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.4 pp -161.03 178.42 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' LEU . 22.9 t -35.64 146.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -70.23 136.45 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -170.24 139.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.1 152.78 24.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.67 -61.52 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -174.05 174.58 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -151.88 165.57 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.77 169.41 42.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.11 176.91 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -159.98 165.47 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.87 164.24 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -172.74 162.39 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -123.61 178.03 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -112.22 -60.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -173.86 -179.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -138.99 157.09 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -155.29 166.78 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -157.57 117.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.66 9.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -155.92 151.99 27.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.9 m -156.44 178.46 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.487 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.71 145.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -171.2 174.81 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.29 166.85 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -150.43 162.2 41.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -89.57 169.88 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.02 133.0 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.76 111.54 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.65 175.55 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -81.02 79.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -153.88 106.12 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -174.42 110.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.4 132.31 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.1 mm -106.8 112.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -97.98 155.12 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.66 53.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -157.16 133.18 9.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.82 -178.79 3.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 153.8 68.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LEU . 10.5 ptt180 -69.43 177.82 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -35.68 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.952 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -101.19 -60.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.47 127.09 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 m -92.04 80.42 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -107.89 147.45 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.547 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.7 m-85 -89.24 117.79 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 35.6 tp60 -96.63 114.02 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -69.04 167.35 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -11.96 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -45.46 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.2 p -115.94 -18.68 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 11.8 t70 71.93 37.62 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -88.94 -176.03 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -126.59 121.68 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.1 mp -120.47 149.05 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -52.96 -55.43 23.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.547 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.1 m -162.38 -177.87 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -45.38 -55.3 6.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.21 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' THR . 36.2 mm-40 -90.16 -38.18 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.1 tp -63.58 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -59.28 -35.55 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -86.22 -44.02 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.81 -44.16 94.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.82 -47.49 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -40.84 -39.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.0 mt -53.85 -45.74 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.62 -49.66 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -50.92 -61.08 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -41.54 -49.71 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.74 -40.95 88.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.24 -44.95 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.09 -41.49 68.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -63.76 -35.1 79.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 36.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -97.92 -59.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -66.75 -55.98 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -132.04 117.46 18.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.28 -49.84 11.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.03 -179.91 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -84.38 32.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 64' ' ' GLN . 6.5 tmtt? -39.9 155.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.425 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 51.0 mt-30 68.59 53.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' A' ' 65' ' ' LEU . 1.3 pt? -120.34 118.68 31.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -86.19 12.17 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.9 p -67.95 109.81 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -148.79 151.23 34.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -116.26 170.54 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -116.65 168.25 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -134.51 156.3 48.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.57 168.52 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.02 -62.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.94 155.65 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 76' ' ' PHE . . . -167.42 160.58 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 33.3 m-85 -162.27 170.87 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.57 155.55 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.22 168.14 24.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.38 -178.51 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -159.55 156.31 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -175.19 132.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -146.48 156.06 43.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -161.69 159.53 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -178.16 124.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 p -165.9 134.02 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.2 m -95.52 -61.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.496 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -108.26 175.74 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HG ' ' N ' ' A' ' 4' ' ' GLY . 45.1 t -173.88 151.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' N ' ' HG ' ' A' ' 3' ' ' SER . . . -99.51 140.33 14.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -128.34 46.46 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -87.01 159.66 18.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.36 100.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 2.1 tp -133.5 102.18 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HE2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -114.3 110.72 20.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -121.25 107.06 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 2.6 p-10 -163.27 105.53 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -168.78 175.61 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 mm -100.65 132.52 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mp -83.7 133.99 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -83.15 170.55 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.92 -51.26 8.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -38.52 152.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.75 -163.06 25.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 81.52 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -144.75 135.8 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.61 139.46 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -102.62 81.56 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.75 138.42 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 t -126.41 139.63 53.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -113.38 127.66 56.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -78.74 116.52 19.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 102.1 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.0 158.41 2.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.27 6.04 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -105.96 -39.08 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -126.82 -6.97 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.0 46.48 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.08 -174.04 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' C ' HD11 ' A' ' 35' ' ' LEU . 21.6 mttp -133.41 107.7 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' N ' HD11 ' A' ' 35' ' ' LEU . 7.8 mp -105.98 160.04 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -66.8 -59.51 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.7 m -152.69 175.85 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' LEU . 26.1 m -43.34 -53.79 5.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.11 -37.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -80.38 -39.04 29.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.0 tp -63.48 -40.03 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.8 m -53.53 -34.3 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -89.75 -37.27 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.4 -54.91 37.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.5 mt -52.54 -40.35 62.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -51.62 -35.85 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.1 -26.39 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ASN . 16.5 m-70 -76.41 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -36.51 -62.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 21.7 pt-20 -33.97 -44.67 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 7.7 mm-40 -70.48 -47.9 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.1 t80 -49.95 -44.9 50.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.33 -45.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -55.23 -52.91 61.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -67.48 -53.3 29.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' LYS . . . 41.49 42.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.3 tmtt? -35.35 116.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 57' ' ' LYS . 23.0 mmm180 -34.39 130.33 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -157.34 168.25 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -85.16 80.17 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 155.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -50.9 126.44 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -155.51 130.99 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -64.84 110.61 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -41.15 112.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.19 168.4 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.4 p -127.97 141.8 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -112.41 136.92 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 4.4 tp-100 -140.02 158.21 44.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 9.5 ptpp? -137.11 141.22 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -119.9 115.06 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 129.27 29.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -114.68 154.23 28.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.0 -127.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.37 147.91 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -78.53 156.94 28.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.55 116.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 155.35 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -159.41 171.3 20.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 154.27 39.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -103.43 173.09 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 39.21 43.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.4 p -51.48 157.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.05 167.15 9.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.525 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -179.67 3.08 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 m -108.13 165.08 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.5 p -124.18 -49.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -109.26 101.74 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -140.82 153.35 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.74 -135.81 8.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t 65.79 42.73 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -128.38 113.17 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.53 159.17 23.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.13 107.82 3.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -147.51 115.46 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.9 108.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -105.32 169.56 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -134.06 176.42 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 pt -83.36 110.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.67 91.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 tt -121.85 -45.13 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.54 74.38 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -42.95 161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.68 -167.96 12.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 90.7 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.36 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -109.48 148.59 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.7 mp -97.74 146.2 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -141.75 166.82 23.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -44.35 138.0 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.29 136.42 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.6 p -133.99 163.89 28.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -111.52 123.89 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.99 105.69 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.37 118.45 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.97 11.2 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -104.51 -43.87 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.0 -11.39 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 74.71 44.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -95.47 -174.52 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -132.06 125.2 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.9 mp -123.87 149.43 45.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -56.29 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -155.78 177.12 11.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 85.5 m -46.58 -49.58 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.59 -37.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.45 -39.06 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.5 tp -61.74 -42.99 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.7 m -51.0 -30.87 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -94.45 -41.27 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -58.49 -49.6 76.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.38 -44.07 65.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.68 -37.82 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.9 mt -53.01 -30.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -81.29 -55.3 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -46.13 -54.3 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' OE2' ' CG ' ' A' ' 51' ' ' GLU . 2.4 pp20? -52.53 -38.51 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 15.9 mt-10 -67.93 -42.72 80.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -44.76 -50.45 10.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -62.19 -46.72 87.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -66.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -48.47 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.6 40.72 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' ARG . 16.7 tptm -108.43 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' LYS . 18.8 ttm180 -34.36 148.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 60' ' ' GLU . 8.5 pt20 -82.7 40.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' GLN . 24.4 mt-10 34.37 52.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -118.21 125.87 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -88.88 101.12 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -71.01 -45.36 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.75 149.82 27.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.38 149.94 28.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.3 mt -140.52 115.53 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -122.76 133.58 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -170.12 135.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.77 133.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -174.74 129.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.13 124.72 5.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -174.1 161.56 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -168.51 145.65 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.49 99.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.63 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.348 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -158.78 146.24 17.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 78' ' ' ASP . . . -129.67 -57.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 77' ' ' ALA . 5.7 m-20 -174.96 171.43 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -160.84 147.61 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 151.45 38.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -139.64 175.96 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.51 157.55 15.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.3 p -109.97 160.02 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.85 155.46 26.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.284 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -121.61 85.25 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -155.21 163.93 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.482 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -43.14 110.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -143.18 168.29 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.21 158.3 21.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -169.85 146.7 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -104.23 125.4 50.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.71 89.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 9' ' ' LYS . 8.7 tp -98.96 151.73 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 6.9 pttm -73.5 78.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 2.5 tmm_? -111.37 99.53 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -160.7 177.02 10.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -146.98 144.84 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.51 118.1 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 mm -119.26 102.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.26 93.55 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.73 74.2 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -173.34 149.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.21 -146.99 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -126.43 -60.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.2 mm? -57.18 116.57 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -110.16 103.31 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -90.09 173.52 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 t -114.55 97.71 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.64 145.83 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -93.14 114.05 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 24.5 tp60 -84.68 99.3 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.67 119.11 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.51 16.1 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -108.78 -46.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.6 p -125.05 6.63 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.9 m-20 64.49 26.66 13.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -81.33 -174.53 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -135.35 129.91 34.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.0 mp -123.98 160.5 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -61.61 -57.62 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.416 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 34.1 m -148.44 -178.12 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -58.12 -35.43 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.118 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 38' ' ' THR . . . -51.44 -38.62 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -77.86 -33.2 52.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.7 tp -65.44 -42.33 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -51.28 -35.99 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.451 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 3.4 m -89.98 -46.36 8.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -50.88 -53.11 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.93 -48.02 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 84.2 m-20 -44.81 -45.72 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.68 -34.46 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -71.92 -49.11 40.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.43 -53.68 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.71 -41.67 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.03 -45.42 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -58.71 -48.11 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 3.9 tp60 -41.39 -50.58 3.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' LYS . 18.9 tptt -54.21 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -39.83 -31.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.05 29.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -50.59 -46.92 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -54.67 178.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.74 114.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -53.06 169.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 1.9 mpp_? -100.97 160.9 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -116.79 41.67 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -124.51 32.38 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -133.46 -44.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.63 -32.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -40.17 101.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 m -142.14 135.96 29.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -144.21 177.25 8.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -158.5 151.63 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -150.43 154.13 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.05 173.92 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 73' ' ' ASP . . . -154.24 147.26 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 72' ' ' ALA . 8.8 m-20 -162.27 163.68 27.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.51 -171.9 24.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.24 162.84 28.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' ALA . 34.3 t80 -89.45 167.1 13.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 76' ' ' PHE . . . -108.9 134.49 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -121.63 -28.65 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.98 96.54 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 81' ' ' GLN . 30.3 tttp -90.72 156.02 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.43 ' N ' ' HG2' ' A' ' 80' ' ' LYS . 39.8 mt-30 -89.76 86.29 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.17 173.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.5 m -95.95 151.22 19.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.43 -76.11 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 172.3 12.87 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 m -52.78 -55.78 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.0 p -69.61 116.97 10.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.495 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -69.52 175.48 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -118.01 42.11 2.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.99 -168.92 54.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -158.03 154.65 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -86.68 170.98 11.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.85 99.72 0.59 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.9 mt -128.87 -62.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -108.33 167.16 10.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -119.48 86.63 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.458 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 7.9 m-20 -98.99 102.08 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 3.3 m-85 -152.11 168.15 26.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 tp -174.46 118.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 15' ' ' LEU . 7.6 mt -139.47 161.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' N ' HG23 ' A' ' 14' ' ' ILE . 5.0 mp 64.12 47.08 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 41.17 1.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -161.89 174.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.02 95.76 2.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.64 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -65.34 -46.55 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 1.9 pt? -174.44 138.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 21' ' ' LEU . 15.0 mp0 -146.15 115.71 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.64 139.94 57.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -71.64 139.42 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.7 p -110.54 141.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.3 m-85 -94.52 114.03 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.07 99.35 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.25 122.33 16.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 22.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -118.11 -38.55 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.57 -1.22 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.05 38.92 8.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -91.73 -174.56 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm -135.03 125.43 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 10.0 mp -125.48 159.91 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -62.78 -52.55 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.469 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 t -166.63 174.85 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' LEU . 90.2 m -38.17 -54.21 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.16 -44.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.84 -37.66 34.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.483 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.4 tp -60.93 -33.84 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -61.79 -34.09 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.1 t -88.37 -40.35 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -64.36 -45.85 85.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.21 -42.72 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -45.13 -40.26 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -53.65 -36.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -71.35 -45.29 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -62.92 -48.51 78.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.3 pt-20 -59.63 -39.0 82.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 48.6 mm-40 -73.67 -40.86 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -48.08 -45.12 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -40.79 -50.84 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -70.73 -41.77 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -42.31 -33.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.32 83.83 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -52.45 146.52 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -127.01 -44.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -111.17 177.79 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -74.26 166.19 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 23.4 ttp180 -145.4 154.98 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 52.5 ttp85 -113.54 152.42 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.83 171.54 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.29 -179.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.49 -60.16 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -39.62 139.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 m -159.98 177.23 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -129.9 176.03 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -146.8 164.24 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -128.6 172.6 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -131.36 177.76 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.56 176.26 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.24 178.8 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 173.75 158.95 19.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.79 174.15 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -162.6 170.23 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.68 174.56 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.79 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -136.62 177.68 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.28 154.1 44.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.91 176.84 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -151.5 130.97 12.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -171.16 163.89 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.47 88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.89 4.13 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.3 p -138.62 149.41 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -164.53 163.2 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.484 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -55.92 125.34 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -147.76 158.64 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.86 -45.94 2.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 54.21 42.21 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -112.01 113.89 26.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.86 -171.02 41.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -93.35 117.68 30.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' N ' HD12 ' A' ' 8' ' ' LEU . 1.8 mppt? -74.23 121.33 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.54 128.48 9.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -87.71 145.83 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -39.89 110.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.32 141.03 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -83.98 103.52 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD21 ' N ' ' A' ' 15' ' ' LEU . 2.6 pt? -139.11 135.29 33.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.1 59.11 0.65 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -129.38 127.06 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.77 121.17 5.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.41 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 71.0 54.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -132.77 77.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.81 126.47 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -134.36 83.15 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.4 m -84.39 -42.64 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' SER . 17.3 p -37.64 144.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -89.75 139.94 30.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.72 104.1 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.66 123.63 17.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 2.2 pptp? -87.1 35.17 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -132.61 -41.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.5 p -127.52 -2.04 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.56 47.92 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 t -97.68 -174.69 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -134.78 127.19 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.2 mp -123.73 153.1 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.21 -57.12 14.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.9 m -152.32 174.36 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' LEU . 89.2 m -45.62 -49.97 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.34 -37.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.43 -36.57 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 tp -65.29 -39.4 92.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 22.8 m -54.77 -32.07 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -94.37 -40.83 9.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.29 -45.92 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.77 -44.95 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 42' ' ' THR . 20.2 m-80 -45.38 -39.44 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.8 mt -52.02 -36.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -75.5 -51.27 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -54.94 -55.22 33.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.1 pt-20 -46.56 -38.65 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 20.7 mt-10 -67.65 -42.45 82.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.55 -52.04 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.5 -45.93 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' ARG . 7.2 tptm -56.64 -62.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' LYS . 52.9 ttm-85 -34.2 -53.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.26 78.23 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.37 143.73 19.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.66 165.33 36.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 67.64 47.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -170.15 105.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 82.58 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -143.34 109.46 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -149.09 157.49 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.78 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.93 175.99 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.3 mt -108.11 153.55 22.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -99.77 171.73 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 174.65 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -135.56 169.62 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -117.18 160.24 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -153.19 172.55 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.96 170.6 14.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.33 173.95 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.54 173.52 26.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.24 177.36 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -151.28 172.7 15.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.48 171.52 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.09 178.02 7.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -152.36 165.56 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -72.69 169.19 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.63 -57.49 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER 61.58 41.42 12.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.64 154.95 20.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.36 78.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.53 45.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 m -162.92 136.01 5.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 m -145.02 139.26 27.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.459 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -95.07 153.77 17.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.931 0.396 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -114.82 98.36 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.11 -169.5 12.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.8 p -164.01 175.52 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 91.4 p -34.85 112.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.0 152.79 7.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -174.19 119.59 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.68 149.82 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -121.84 -175.04 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.77 175.28 8.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CD2' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -112.13 152.4 28.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 ' C ' ' CD1' ' A' ' 14' ' ' ILE . 3.2 pt -133.33 100.6 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 HD12 ' CD2' ' A' ' 12' ' ' PHE . 4.2 mp -148.37 113.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mp -121.5 168.46 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.06 -85.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.6 m120 61.94 39.97 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.0 112.39 4.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.72 28.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.82 42.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 mt -116.57 99.13 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -107.62 86.56 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -53.96 174.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' THR . 43.8 t -80.61 -36.11 33.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 80.6 p -34.33 131.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.449 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 3.9 m-85 -85.74 116.52 24.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.9 109.63 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -62.67 161.76 11.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.29 -1.53 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -99.35 -37.78 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -127.54 -8.04 5.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.98 38.47 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -87.09 -174.86 5.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -128.89 128.21 43.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.4 mp -125.81 160.31 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.48 -61.93 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 26.7 p -143.43 177.3 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -53.17 -40.93 64.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -47.11 -40.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -73.56 -35.94 65.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.2 tp -64.16 -42.28 96.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.2 m -50.94 -36.57 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -88.38 -44.46 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -52.13 -45.07 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.19 -52.02 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -39.1 -42.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.83 -53.84 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -43.99 -71.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -49.61 -50.03 44.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.05 -42.14 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.43 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.5 -44.04 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -40.46 -49.66 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -44.28 -48.2 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -74.76 -55.65 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.72 40.87 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.08 52.51 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 59' ' ' GLN . 2.4 ptp180 -56.12 -32.91 64.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 35.4 tt0 -170.99 106.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -145.59 142.36 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -102.97 106.4 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -160.45 150.78 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -110.18 155.71 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -66.28 -53.52 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mt -156.94 177.36 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 81.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -156.42 150.66 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.41 41.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' C ' ' CD ' ' A' ' 69' ' ' GLN . 1.9 pp0? -54.24 175.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 159.91 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -89.2 143.13 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.83 144.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -164.46 159.88 19.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.5 165.28 30.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.45 174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' ALA . 41.0 t80 -169.35 169.11 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' PHE . . . -151.26 158.81 44.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.18 175.57 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -166.43 159.23 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 33.2 tptt -161.25 152.85 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 4.7 pp0? -112.81 -47.37 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' GLN . 9.4 tt0 35.12 41.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 p -106.16 174.03 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.64 146.35 14.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.42 2.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -150.01 175.93 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.515 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -130.98 -64.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -165.04 -179.5 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.97 -170.18 19.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.542 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -145.24 179.93 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -146.28 -177.05 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' C ' HD22 ' A' ' 8' ' ' LEU . . . -166.65 117.03 0.71 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -135.24 136.69 41.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 8' ' ' LEU . 1.5 mptt -152.14 -178.37 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -120.36 167.67 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.93 -178.4 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 63.19 55.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.514 ' O ' ' C ' ' A' ' 14' ' ' ILE . 8.3 tt -66.76 -1.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 13' ' ' ILE . 7.5 mm -28.17 141.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -170.52 173.05 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 17' ' ' ASN . . . 158.72 120.43 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 6.5 m-80 -162.39 147.72 12.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.36 166.36 30.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 98.86 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -91.3 -39.97 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 21' ' ' LEU . 4.2 mm? -51.63 118.38 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' C ' ' ND2' ' A' ' 23' ' ' ASN . 49.9 tp60 -115.88 81.84 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.418 ' ND2' ' C ' ' A' ' 22' ' ' GLN . 3.0 m-80 -155.33 114.06 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -87.98 42.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.7 p -50.3 171.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -109.36 125.37 52.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 104.83 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.69 139.86 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.21 28.87 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -129.4 -40.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.98 -8.99 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 69.04 46.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -96.07 -175.0 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -133.15 123.86 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.7 mp -121.55 160.89 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -65.21 -59.09 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.5 m -154.41 174.3 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 m -42.36 -49.83 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.35 -39.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.26 -40.64 30.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.2 tp -58.95 -46.08 88.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.4 m -51.26 -33.29 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -89.06 -37.86 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -65.17 -59.95 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.09 -48.58 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -39.66 -40.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.1 mt -51.81 -50.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -54.3 -59.09 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.22 -58.26 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -50.94 -48.29 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.85 -40.94 70.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.65 -42.45 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -49.71 -48.6 49.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -44.27 -49.96 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -56.6 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 39.25 37.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.29 157.9 45.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -126.45 140.12 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -47.81 167.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -43.72 126.91 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -174.12 141.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ARG . 63.0 mtm180 -35.98 109.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -138.63 155.82 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -134.84 123.12 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.39 -179.47 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CD2' ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.23 157.38 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -171.02 128.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -145.28 114.32 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -147.82 128.3 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -147.48 167.7 23.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 175.48 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.27 154.41 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -159.56 171.34 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.3 -177.52 24.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.79 158.86 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -142.85 167.92 20.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.55 153.23 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -123.93 166.17 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -144.68 165.38 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -84.18 175.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -140.74 174.81 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -135.01 146.99 49.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -129.21 -60.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.62 123.46 3.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -167.65 166.1 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -114.08 150.42 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.493 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -167.27 -176.22 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m 63.76 44.85 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.04 117.26 5.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -143.05 168.08 20.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 m -151.0 170.48 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.0 55.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' C ' ' CD2' ' A' ' 8' ' ' LEU . 3.1 tt -174.65 108.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -152.56 131.21 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.35 163.02 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.73 -64.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -174.49 170.97 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.5 mm -147.0 134.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.49 140.42 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -142.1 117.64 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.9 86.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -151.84 110.09 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.27 -174.47 29.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.6 3.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.1 119.54 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -85.87 -25.89 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.459 ' N ' HD11 ' A' ' 21' ' ' LEU . 51.8 tp60 -168.59 130.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 24' ' ' SER . 11.8 m-80 -115.57 -63.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 23' ' ' ASN . 42.5 m 34.27 40.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 p -60.37 141.31 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.4 m-85 -88.65 114.19 25.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -87.65 118.55 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.78 160.34 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -9.54 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.67 -46.92 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.81 -12.6 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 67.44 42.05 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.6 t -90.38 -174.29 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -129.56 124.6 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.1 mp -123.5 160.49 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -62.53 -59.67 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.565 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 49.6 m -152.71 176.39 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.488 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -46.94 -38.27 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -50.23 -39.51 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -76.02 -39.17 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.7 tp -60.88 -40.66 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -53.25 -36.05 60.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.402 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 39.6 m -87.86 -42.86 12.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -59.26 -56.3 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.825 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.9 mt -45.6 -48.32 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 92.3 m-20 -39.65 -41.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mt -51.62 -48.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -53.68 -47.37 70.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.6 -65.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.69 -56.37 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.83 -44.06 73.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -47.75 -43.7 27.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -76.46 -54.89 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -50.88 8.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.81 -44.17 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.65 34.99 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -118.31 124.27 47.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -79.27 146.27 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 56.36 43.03 26.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -154.14 105.31 2.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -145.99 142.53 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -160.38 141.66 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.67 124.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -157.31 106.29 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.5 mp -156.4 126.88 6.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.9 mt -44.14 120.92 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -87.67 129.74 35.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -83.15 166.72 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -79.21 173.66 12.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.82 -37.24 7.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -97.52 38.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.01 -55.74 31.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.86 -42.62 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.26 -96.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.77 111.58 4.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' O ' ' CG ' ' A' ' 76' ' ' PHE . 8.8 p90 -131.67 96.23 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.37 172.82 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -167.84 144.62 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' CE ' ' HG3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -80.05 153.32 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -127.07 158.35 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HG3' ' CE ' ' A' ' 80' ' ' LYS . 82.5 mt-10 -146.27 144.73 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.7 m -121.52 -52.17 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.52 127.21 3.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.52 4.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.7 t -150.7 152.29 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.7 p -163.05 166.75 23.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.48 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -138.74 157.84 45.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -142.23 165.38 27.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.66 148.35 5.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -168.67 151.1 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -142.44 161.99 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.79 83.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -116.9 -49.52 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' CE ' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -38.18 132.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -167.92 146.7 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -145.05 175.47 10.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.5 p90 -143.39 176.43 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.412 ' C ' HG13 ' A' ' 14' ' ' ILE . 43.3 pt -140.87 140.94 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 15' ' ' LEU . 56.0 mt -145.15 138.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' N ' HG22 ' A' ' 14' ' ' ILE . 4.3 mp -116.43 119.48 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.5 137.66 6.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -156.11 158.3 37.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.99 120.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.69 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 -73.8 170.43 15.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.8 mt -46.25 112.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -103.14 85.24 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.77 175.57 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -104.11 106.07 16.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -117.68 164.8 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -110.52 113.44 26.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.07 104.6 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -63.39 126.92 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 18.96 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 6.2 m80 -112.65 -37.95 4.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -133.11 -0.41 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.41 43.02 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 t -93.75 -174.86 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -134.46 124.6 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.4 mp -121.57 160.7 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -67.4 -64.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.543 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 11.2 p -141.92 177.77 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 m -50.31 -47.74 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.2 -39.48 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -76.25 -37.06 58.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.8 tp -66.53 -35.05 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -58.17 -29.67 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 m -94.13 -41.04 9.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -62.48 -44.6 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -56.61 -45.03 81.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.09 -43.85 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -48.04 -38.61 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.414 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 35.2 m-70 -72.15 -60.76 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -45.46 -53.5 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 15.2 pt-20 -53.25 -35.43 59.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 6.0 mm-40 -75.33 -43.57 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.99 -41.47 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -46.57 -40.91 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -67.65 -42.6 81.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -59.7 -40.44 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.15 37.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 157.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -59.3 151.23 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -162.93 172.28 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 34.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -132.21 37.81 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -138.72 178.88 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 2.0 tmtm? -174.91 137.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.15 164.99 7.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -144.02 159.5 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -101.41 168.84 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.0 p -138.68 171.06 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -168.31 147.12 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 pm0 -169.72 147.56 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -167.03 134.99 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -143.81 156.45 44.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.39 159.01 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -120.99 -57.8 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 160.13 23.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -147.5 177.43 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -121.03 -61.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 78' ' ' ASP . . . -174.61 173.88 2.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 77' ' ' ALA . 7.6 m-20 -168.58 113.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -134.7 123.45 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.81 151.76 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -151.27 156.28 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -174.8 170.76 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -87.57 164.87 15.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.81 142.95 7.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 175.08 8.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.3 p -153.86 116.94 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -171.46 121.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -160.64 170.66 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -137.95 177.96 7.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.01 151.11 17.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -159.98 161.5 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -136.58 165.17 26.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.33 170.51 35.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.54 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -172.64 120.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -56.07 143.58 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' CD ' ' O ' ' A' ' 8' ' ' LEU . 1.4 mpt_? -125.15 177.8 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.39 164.28 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -105.71 172.51 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.473 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -144.87 154.01 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 15' ' ' LEU . 4.8 mp -120.66 143.34 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 16' ' ' GLY . 3.7 pp -111.63 30.09 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' LEU . . . -35.77 129.96 0.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -88.18 -58.12 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.14 163.51 0.9 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.89 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -83.9 -60.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -103.05 111.62 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -108.97 -21.9 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.5 m120 -94.88 21.6 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' ASN . 90.5 p 35.74 39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.8 142.03 58.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.5 m-85 -83.5 156.3 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -123.48 103.05 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.76 123.13 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -90.92 32.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -128.74 -40.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -125.22 -9.85 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.42 46.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -103.31 -174.56 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -132.62 129.54 39.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.5 mp -125.84 161.87 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.47 -47.39 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.533 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m -173.67 -177.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -41.01 -61.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -31.68 -36.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 30.9 mm-40 -86.46 -43.06 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' THR . 10.8 tp -60.43 -51.03 71.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 97.7 m -46.15 -38.17 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -82.68 -53.03 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -49.39 -36.2 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.03 -44.47 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.6 m120 -46.17 -37.33 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.68 -36.49 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.52 -51.86 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -55.82 -53.2 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 6.4 pt-20 -50.42 -33.47 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 53.8 mt-10 -71.77 -49.93 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.81 -43.51 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.3 -53.14 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -61.62 -62.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -38.75 -32.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 44.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -108.91 -59.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -106.06 157.09 17.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -51.37 122.49 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -106.4 154.46 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -70.79 170.16 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -70.37 -174.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 12.6 mmtm -50.77 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -117.05 157.58 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.1 158.43 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -114.5 168.18 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t -148.36 156.84 43.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -104.86 177.75 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 70' ' ' LYS . 31.1 tt0 -145.97 153.24 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 69' ' ' GLN . 6.9 tmtm? -163.81 144.54 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.416 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 4.7 p90 -148.23 175.02 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.04 176.29 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.33 -66.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 130.74 -156.58 21.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.1 174.18 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -162.42 172.56 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.89 172.21 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -155.57 169.26 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.29 174.53 10.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -139.89 153.68 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -141.64 152.13 43.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -127.04 172.77 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 t -173.28 148.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.97 69.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.08 10.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 t -135.64 131.5 35.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m -92.33 -64.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 m -100.05 176.69 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -81.09 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.21 171.7 18.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -52.1 148.52 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -123.15 160.15 27.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.12 -108.99 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.35 48.5 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.46 147.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -171.01 168.4 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.49 155.54 27.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -106.41 136.08 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.87 138.12 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.46 117.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -109.27 80.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.64 46.16 0.26 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -119.77 97.4 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.25 69.19 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -1.0 7.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.312 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.42 92.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.17 -61.56 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -121.97 71.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -128.2 79.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.1 t -117.51 142.89 46.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.4 p -134.19 141.65 47.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.7 125.53 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -94.48 92.42 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -46.29 118.63 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HD2' ' ND1' ' A' ' 30' ' ' HIS . 2.8 pptp? -84.25 31.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -128.57 -42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.03 -10.75 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 74.76 42.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -96.91 -175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm -134.52 120.03 19.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.5 mp -116.53 161.42 19.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -69.66 -60.48 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -149.08 176.24 10.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LEU . 31.8 m -46.24 -51.6 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.38 -39.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -80.96 -38.36 27.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.1 tp -62.19 -46.06 90.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -50.16 -34.62 23.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -88.2 -44.3 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -55.52 -55.07 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.11 -49.59 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -40.9 -40.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.2 mt -55.72 -52.01 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -48.82 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -51.79 -53.81 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -44.74 -42.78 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.39 -42.23 45.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -52.89 -49.08 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -42.18 -46.09 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -64.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.65 42.31 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -46.16 151.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -59.77 -45.5 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -87.64 125.26 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.01 -178.74 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -85.87 140.45 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.72 156.71 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' N ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -149.2 158.99 44.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -99.38 142.45 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.8 135.9 54.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -109.61 143.7 38.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -117.21 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 145.28 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -133.41 -72.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -151.21 172.12 16.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -121.32 153.79 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.29 110.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -98.36 -47.04 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.59 174.2 32.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.72 144.05 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.07 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -128.06 149.65 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.2 147.09 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.21 89.66 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -168.83 172.34 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -174.78 160.66 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.477 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 74.1 mm-40 -153.76 124.76 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -84.91 42.37 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 t -100.54 139.11 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.75 -125.56 2.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.12 56.17 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m 57.85 44.3 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.8 p -102.83 100.61 10.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.467 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -136.25 139.86 43.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -154.06 168.0 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.85 -128.47 5.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -145.87 155.34 42.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -118.25 162.49 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.93 179.27 16.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' C ' ' HE2' ' A' ' 9' ' ' LYS . 17.6 mt -93.7 176.06 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.24 161.69 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -150.17 166.93 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.41 170.51 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -101.9 157.12 17.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 tt -69.88 137.82 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.61 125.37 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.38 132.8 54.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 -171.99 22.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -79.7 84.33 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.19 136.12 7.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 98.25 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -65.9 -49.35 68.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.33 128.51 35.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.36 177.71 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -122.76 40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 t 41.75 40.82 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -57.43 168.88 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.8 m-85 -112.07 123.88 51.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -85.03 95.84 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.93 112.13 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.62 14.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -102.75 -51.28 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -119.51 4.94 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.26 42.22 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 10.4 t -101.78 -174.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -135.5 132.17 36.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 7.7 mp -124.3 156.85 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HG2' ' CD ' ' A' ' 40' ' ' GLU . 4.9 pt20 -63.76 -41.06 98.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -174.6 173.21 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' LEU . 59.3 m -41.66 -50.93 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.71 -40.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' HG2' ' A' ' 36' ' ' GLN . 10.6 mt-10 -83.24 -36.56 24.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.0 tp -61.63 -45.37 94.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.1 m -48.8 -37.25 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.65 -37.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -61.7 -61.83 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 mt -45.91 -47.87 16.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -40.24 -42.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -52.03 -48.46 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -55.2 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -55.47 -62.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -43.22 -49.23 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -53.48 -43.97 68.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.61 -48.85 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -42.61 -59.13 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -56.15 -50.07 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' LYS . 70.6 mtm-85 -43.67 -42.67 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' ARG . . . -34.67 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.2 mmtt -89.27 77.07 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -81.09 -55.39 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 38.45 42.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' ARG . 5.7 mm-40 -91.83 176.51 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' GLU . 34.7 ttm-85 -34.34 -58.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 ttt180 -133.16 -66.38 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 62' ' ' ARG . 17.4 tptm 33.01 46.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -127.84 153.25 46.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 pp -148.02 134.11 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mt -127.08 157.57 39.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -65.94 169.91 6.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' N ' ' HE2' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -89.33 -72.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -145.74 145.33 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -88.93 39.13 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -167.17 173.9 8.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.03 126.36 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.93 -48.97 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.51 131.8 4.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.95 138.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -84.45 176.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.84 128.17 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -87.21 167.25 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -144.81 143.71 30.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.81 146.71 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -154.7 117.14 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -119.57 -44.91 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -92.26 138.04 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.96 9.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.73 9.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -152.45 170.16 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -132.71 155.1 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.412 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p 38.38 42.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -49.07 162.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.95 -142.73 7.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -158.81 145.9 17.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.787 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -120.49 176.9 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.55 -150.16 7.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 HD11 ' C ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -160.94 125.14 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 0.0 110.943 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -143.33 166.73 23.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -117.74 176.25 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -135.7 164.41 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -116.39 153.61 31.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' C ' HG13 ' A' ' 14' ' ' ILE . 46.9 pt -123.96 165.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 13' ' ' ILE . 53.8 mt -144.9 109.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mp -143.42 114.85 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.55 166.52 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -153.14 156.87 39.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.84 126.81 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 151.84 68.93 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.43 40.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' N ' HD21 ' A' ' 21' ' ' LEU . 4.6 mm? -108.12 117.01 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -111.91 41.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -88.42 161.84 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 m -65.33 108.54 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 p -125.46 156.34 39.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 -111.58 117.16 32.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -89.45 95.7 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.69 117.73 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 27.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -120.75 -44.04 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.0 p -123.28 -8.56 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 74.79 45.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.74 -174.15 2.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' C ' HD11 ' A' ' 35' ' ' LEU . 29.1 mtmm -134.44 123.71 24.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.4 mp -120.3 150.25 41.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -56.82 -61.07 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 3.4 t -154.04 177.83 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.7 m -42.65 -53.43 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.63 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.3 -38.92 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' THR . 12.8 tp -61.7 -34.44 75.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.8 m -60.55 -34.13 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -89.33 -39.28 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -64.62 -46.91 80.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.03 -40.81 86.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -46.69 -37.22 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.36 -33.38 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -78.87 -64.14 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -39.02 -55.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -55.07 -39.62 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.85 -43.66 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -68.29 -35.93 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -72.16 -41.77 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.4 -54.55 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -72.43 -52.15 17.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 58.03 36.82 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.68 143.26 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -46.14 127.39 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.0 pm0 -77.69 179.01 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 68.77 44.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.13 160.31 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -64.48 82.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -155.74 112.12 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -143.22 132.4 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD21 ' N ' ' A' ' 65' ' ' LEU . 4.4 mm? -66.29 111.62 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.0 tp -165.29 111.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -172.46 161.56 5.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.17 81.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -120.37 90.26 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -112.43 84.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -146.74 142.72 28.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.45 167.25 19.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -135.32 157.12 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.29 -65.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 71.99 40.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -113.4 160.79 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.58 147.94 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -161.29 169.78 21.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -168.2 144.35 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -87.99 147.64 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' GLU . 15.3 tp60 -120.13 -42.92 2.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' GLN . 12.2 pt-20 -34.51 136.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.4 p -141.56 178.02 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.89 124.62 2.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.69 6.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.03 164.92 17.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.5 p -112.8 167.12 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 p -79.83 171.08 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -152.06 168.69 24.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.29 174.58 35.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -169.89 169.28 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -138.75 165.23 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' HD12 ' A' ' 8' ' ' LEU . . . 172.4 156.43 12.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' CD1' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -136.61 173.32 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.395 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 8' ' ' LEU . 3.2 mptt -151.57 166.09 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.07 137.01 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 47.4 m-20 -154.8 107.65 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 5.9 m-85 -158.1 141.38 15.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -145.27 106.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -121.77 115.37 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.37 126.57 52.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.5 -152.29 1.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.436 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.77 167.46 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.59 -164.51 35.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -51.08 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 65.89 43.35 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' N ' HD13 ' A' ' 21' ' ' LEU . 10.9 mp -112.91 172.59 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -141.16 135.07 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -143.96 174.33 10.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -103.56 41.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -81.58 161.99 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -89.06 122.89 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -98.42 127.48 44.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -83.32 164.06 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -115.17 -9.9 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -89.88 -38.21 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -128.79 -10.22 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 65.16 42.0 4.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -89.13 -171.7 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' C ' HD12 ' A' ' 35' ' ' LEU . 29.4 mtmm -129.72 111.99 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 35' ' ' LEU . 10.5 mp -110.74 140.22 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -46.79 -56.98 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.52 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 1.8 t -161.33 179.38 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' GLU . 19.9 m -42.88 -53.59 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -33.11 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.1 mt-10 -89.34 -42.38 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 35' ' ' LEU . 12.4 tp -56.84 -43.68 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -52.93 -37.68 61.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -83.52 -46.0 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' CB ' HD21 ' A' ' 35' ' ' LEU . 86.3 t60 -57.77 -58.07 9.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.3 -50.58 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -42.57 -44.54 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.6 mt -51.29 -37.97 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -73.85 -53.3 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.56 -51.5 62.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 6.4 pt-20 -51.1 -36.62 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 5.6 mm-40 -67.34 -41.93 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -55.18 -50.36 69.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 54' ' ' LYS . 35.5 mm-40 -58.73 -53.86 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' GLN . 7.2 mtpp -34.52 -40.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -82.28 -52.49 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 49.35 40.4 18.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -111.81 -53.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -44.37 -44.37 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.0 mm-40 -124.47 115.0 20.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -94.56 -58.98 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -93.33 144.24 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -155.02 149.32 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -164.2 117.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -150.75 107.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -113.45 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' N ' HD11 ' A' ' 65' ' ' LEU . 18.0 mt -119.95 94.41 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -59.96 156.01 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.72 155.67 35.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -98.32 151.65 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.02 159.1 10.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -147.66 156.65 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.86 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -160.28 172.28 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.23 13.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.37 176.93 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -135.03 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.07 159.16 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -160.06 161.49 33.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -153.97 112.9 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 7.6 pttm -114.32 -34.17 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 24.4 mp0 -49.43 149.5 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -145.88 160.37 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t -126.5 165.21 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -153.95 95.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.29 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -160.63 174.89 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -171.48 155.59 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.472 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -154.26 154.57 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -162.74 142.73 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.74 153.18 23.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -168.9 144.49 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -148.55 150.59 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.59 122.28 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.19 121.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 131.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -158.21 178.09 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -167.19 177.06 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -137.36 175.38 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.12 139.22 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -120.26 121.13 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -96.0 166.05 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.24 -139.11 2.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -138.44 138.74 38.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.54 -107.26 2.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 113.99 3.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -91.29 166.61 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.09 121.99 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.52 116.82 31.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -144.98 122.31 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.9 m -53.55 107.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 p -122.1 143.94 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -73.51 119.6 17.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -93.04 89.74 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 t -45.34 141.49 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 21.29 15.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -117.62 -35.57 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.1 -1.14 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.44 40.26 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -87.71 -174.93 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' HD13 ' A' ' 35' ' ' LEU . 52.9 mttt -136.08 111.45 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 8.8 mp -109.47 161.99 14.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.51 -67.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 p -138.84 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 m -49.69 -46.52 50.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.06 -34.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.4 tp -63.85 -36.12 82.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -57.36 -34.52 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -90.56 -42.99 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -58.8 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.31 -47.41 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -41.06 -40.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.7 mt -49.33 -48.98 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.24 -45.52 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -53.76 -48.83 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.14 -45.99 89.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.16 -45.6 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -48.84 -50.51 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -59.34 -51.3 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -54.85 -31.59 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.17 70.69 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -109.64 -178.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -75.69 161.76 28.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -49.29 168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 62.26 54.41 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 61' ' ' ARG . 21.0 ttp-105 -108.2 143.1 37.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -62.68 165.36 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -130.27 151.45 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.43 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 12.8 pt20 -79.14 172.84 13.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mp -104.41 164.3 11.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' N ' HD21 ' A' ' 66' ' ' LEU . 2.4 pt? -146.35 141.64 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -87.94 178.78 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -106.21 178.89 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.43 177.74 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -97.77 -27.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 53.95 49.8 18.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -178.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -150.86 161.17 43.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.93 121.32 0.76 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.77 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -98.72 136.92 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.66 -62.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -174.94 163.79 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.69 112.35 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -171.26 150.99 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.1 150.5 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -145.75 169.69 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 p -142.37 175.63 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.22 145.4 10.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -98.93 170.2 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -70.81 -58.94 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.469 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 1' ' ' GLY . 26.2 p 35.03 41.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 p -121.95 176.24 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.49 -179.93 45.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -171.59 168.24 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -128.53 156.2 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.94 163.06 12.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.94 176.63 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.95 172.88 14.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -143.1 150.47 39.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.09 166.11 14.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -122.55 166.1 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -110.41 139.13 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -102.71 84.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -129.57 167.42 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' ASN . . . -174.61 136.28 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' GLY . 31.2 m-80 -34.29 -53.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . 34.86 66.99 0.29 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 134.7 28.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -90.42 114.34 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -130.96 160.0 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -79.58 124.86 28.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -139.88 138.73 35.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -93.28 84.95 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.11 149.62 24.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -91.32 130.42 37.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -102.74 98.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.14 131.51 47.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.68 17.17 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -111.9 -50.32 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -118.15 -1.58 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.63 41.18 5.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.7 p -93.34 177.23 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -128.69 119.55 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 41' ' ' LEU . 5.4 mp -118.22 144.74 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.76 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -164.88 177.69 7.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' LEU . 28.8 m -41.54 -52.3 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.01 -38.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -82.85 -39.99 20.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 11.1 tp -59.9 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.4 m -45.91 -35.66 4.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -85.73 -44.6 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -60.46 -60.57 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -51.13 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -38.7 -40.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.6 -48.72 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -54.51 -44.69 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.87 -29.9 56.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -78.69 -34.09 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -74.16 -45.98 45.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -54.73 -39.17 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 5.0 ttmm -76.46 -42.31 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 56' ' ' ALA . 1.3 tmm_? -47.75 -43.34 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 55' ' ' ARG . . . -37.57 -44.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.11 42.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 37.6 45.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' OE2' ' A' ' 60' ' ' GLU . 15.3 tp60 -94.96 81.49 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' A' ' 59' ' ' GLN . 8.1 mp0 -134.7 131.43 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.6 tpt85 -112.63 -56.34 2.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -67.97 161.14 27.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -112.9 123.81 51.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -50.79 163.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.3 mt -143.5 171.68 13.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 mp -75.43 177.46 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -156.71 -178.76 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -108.64 163.15 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -124.41 153.97 41.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -126.35 -179.87 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -139.28 172.72 12.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.17 171.42 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -171.6 178.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 131.93 -151.74 19.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 74.73 54.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -102.36 139.22 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.15 155.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -174.85 137.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.73 -67.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER 75.0 50.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.462 ' CD ' ' O ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -164.88 145.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -174.87 123.09 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -90.37 -62.38 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.56 133.8 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -171.67 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -148.54 171.43 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 p -120.68 175.97 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.469 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.95 90.04 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -48.31 149.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -107.27 30.79 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -130.04 -39.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.1 p -128.5 -3.91 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.73 46.28 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 t -95.75 -175.15 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -135.48 109.64 8.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 41' ' ' LEU . 8.2 mp -108.07 159.92 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.74 -57.69 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 29.8 m -154.54 177.82 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' LEU . 13.1 m -46.08 -52.87 11.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.8 -38.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -84.05 -38.53 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.581 HD12 HD22 ' A' ' 35' ' ' LEU . 12.3 tp -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -46.59 -38.37 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -85.56 -50.87 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.58 ' HA ' HD12 ' A' ' 47' ' ' ILE . 72.5 t60 -47.7 -47.64 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' HIS . 13.6 mt -54.54 -55.59 27.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m-80 -37.72 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 44' ' ' HIS . 30.1 mt -53.15 -46.11 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.9 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -90.94 92.51 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -45.86 121.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.65 16.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -111.95 -43.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.5 p -125.26 1.29 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.5 33.67 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -83.61 -176.4 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.67 ' C ' HD12 ' A' ' 35' ' ' LEU . 42.7 mttp -132.07 125.19 30.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -123.78 161.07 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.52 -53.48 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -160.11 174.51 14.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -40.34 -53.38 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.04 -38.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 35' ' ' LEU . 61.3 mm-40 -80.55 -40.72 25.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.523 ' CD1' HD22 ' A' ' 35' ' ' LEU . 11.7 tp -59.78 -48.77 80.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -48.09 -33.64 8.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -90.45 -36.26 14.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CB ' HD21 ' A' ' 35' ' ' LEU . 71.0 t60 -66.55 -60.18 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.19 -44.5 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.94 -41.69 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.4 mt -50.41 -37.45 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.828 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 104.28 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.49 108.5 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 12.82 2.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -100.6 -43.4 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.97 4.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.13 41.55 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 t -103.33 -174.47 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' C ' HD12 ' A' ' 35' ' ' LEU . 41.8 mttp -135.42 131.71 36.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.656 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -126.05 158.34 35.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.94 -53.16 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 12.2 m -161.97 174.34 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 38.8 m -41.49 -50.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.5 -38.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -83.61 -40.06 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 35' ' ' LEU . 11.6 tp -59.64 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 m -44.79 -37.46 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -85.51 -45.59 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.454 ' CB ' HD21 ' A' ' 35' ' ' LEU . 69.9 t60 -57.8 -61.0 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -41.22 -49.4 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -40.89 -45.94 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.8 mt -46.53 -45.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.359 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -96.63 114.02 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -69.04 167.35 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -11.96 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -45.46 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.2 p -115.94 -18.68 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 71.93 37.62 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -88.94 -176.03 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.594 ' C ' HD12 ' A' ' 35' ' ' LEU . 32.7 mttt -126.59 121.68 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.652 HD22 HD12 ' A' ' 41' ' ' LEU . 7.1 mp -120.47 149.05 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -52.96 -55.43 23.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.1 m -162.38 -177.87 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -45.38 -55.3 6.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.21 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' THR . 36.2 mm-40 -90.16 -38.18 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.652 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -63.58 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -59.28 -35.55 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -86.22 -44.02 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CB ' HD21 ' A' ' 35' ' ' LEU . 18.1 t60 -59.81 -44.16 94.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.82 -47.49 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -40.84 -39.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.0 mt -53.85 -45.74 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 102.1 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.0 158.41 2.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.27 6.04 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -105.96 -39.08 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -126.82 -6.97 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.0 46.48 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.08 -174.04 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -133.41 107.7 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 44' ' ' HIS . 7.8 mp -105.98 160.04 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -66.8 -59.51 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.7 m -152.69 175.85 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' LEU . 26.1 m -43.34 -53.79 5.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.11 -37.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -80.38 -39.04 29.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.0 tp -63.48 -40.03 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.8 m -53.53 -34.3 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -89.75 -37.27 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.475 ' CB ' HD21 ' A' ' 35' ' ' LEU . 84.3 t60 -61.4 -54.91 37.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -52.54 -40.35 62.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -51.62 -35.85 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.1 -26.39 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 36.3 m170 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.99 105.69 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.37 118.45 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.97 11.2 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -104.51 -43.87 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.0 -11.39 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 74.71 44.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -95.47 -174.52 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.687 ' C ' HD12 ' A' ' 35' ' ' LEU . 28.2 mtmt -132.06 125.2 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.687 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.9 mp -123.87 149.43 45.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -56.29 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -155.78 177.12 11.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 85.5 m -46.58 -49.58 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.59 -37.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.45 -39.06 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.5 tp -61.74 -42.99 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.7 m -51.0 -30.87 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -94.45 -41.27 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CB ' HD21 ' A' ' 35' ' ' LEU . 55.8 t60 -58.49 -49.6 76.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -52.38 -44.07 65.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -48.68 -37.82 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.9 mt -53.01 -30.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 24.5 tp60 -84.68 99.3 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.67 119.11 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -82.51 16.1 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -108.78 -46.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.6 p -125.05 6.63 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.9 m-20 64.49 26.66 13.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -81.33 -174.53 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 35' ' ' LEU . 46.5 mttm -135.35 129.91 34.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.618 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.0 mp -123.98 160.5 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -61.61 -57.62 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 34.1 m -148.44 -178.12 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -35.43 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.62 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' C ' HD23 ' A' ' 35' ' ' LEU . 26.4 mt-10 -77.86 -33.2 52.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.7 tp -65.44 -42.33 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -51.28 -35.99 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -89.98 -46.36 8.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.618 ' CB ' HD21 ' A' ' 35' ' ' LEU . 78.5 t60 -50.88 -53.11 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.93 -48.02 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -44.81 -45.72 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.68 -34.46 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.3 m-85 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.855 0.36 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.07 99.35 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.25 122.33 16.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.57 22.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -118.11 -38.55 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.57 -1.22 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.05 38.92 8.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -91.73 -174.56 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' C ' HD12 ' A' ' 35' ' ' LEU . 27.4 mtmm -135.03 125.43 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 44' ' ' HIS . 10.0 mp -125.48 159.91 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -62.78 -52.55 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 t -166.63 174.85 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' LEU . 90.2 m -38.17 -54.21 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.16 -44.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . 9.4 mm-40 -79.84 -37.66 34.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -60.93 -33.84 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -61.79 -34.09 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.1 t -88.37 -40.35 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.7 t60 -64.36 -45.85 85.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.21 -42.72 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -45.13 -40.26 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -53.65 -36.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.72 104.1 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.66 123.63 17.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 29' ' ' LYS . 2.2 pptp? -87.1 35.17 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -132.61 -41.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.5 p -127.52 -2.04 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.56 47.92 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 t -97.68 -174.69 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.668 ' C ' HD12 ' A' ' 35' ' ' LEU . 36.3 mttp -134.78 127.19 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.2 mp -123.73 153.1 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.21 -57.12 14.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.9 m -152.32 174.36 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' LEU . 89.2 m -45.62 -49.97 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.34 -37.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' C ' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -81.43 -36.57 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 tp -65.29 -39.4 92.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 22.8 m -54.77 -32.07 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -94.37 -40.83 9.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CB ' HD21 ' A' ' 35' ' ' LEU . 76.4 t60 -59.29 -45.92 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.77 -44.95 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 42' ' ' THR . 20.2 m-80 -45.38 -39.44 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.8 mt -52.02 -36.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 3.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.84 0.352 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.9 109.63 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -62.67 161.76 11.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.29 -1.53 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -99.35 -37.78 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -127.54 -8.04 5.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.98 38.47 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -87.09 -174.86 5.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.709 ' C ' HD12 ' A' ' 35' ' ' LEU . 43.3 mttt -128.89 128.21 43.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.4 mp -125.81 160.31 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -63.48 -61.93 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 26.7 p -143.43 177.3 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -53.17 -40.93 64.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -47.11 -40.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -73.56 -35.94 65.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.2 tp -64.16 -42.28 96.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.2 m -50.94 -36.57 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -88.38 -44.46 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CB ' HD21 ' A' ' 35' ' ' LEU . 73.7 t60 -52.13 -45.07 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.19 -52.02 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -39.1 -42.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.83 -53.84 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.885 0.374 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 104.83 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.69 139.86 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.21 28.87 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -129.4 -40.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.98 -8.99 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 69.04 46.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -96.07 -175.0 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.616 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.3 mtmp? -133.15 123.86 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -121.55 160.89 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -65.21 -59.09 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.5 m -154.41 174.3 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 m -42.36 -49.83 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.35 -39.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.26 -40.64 30.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.2 tp -58.95 -46.08 88.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.4 m -51.26 -33.29 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -89.06 -37.86 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CB ' HD21 ' A' ' 35' ' ' LEU . 60.0 t60 -65.17 -59.95 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.09 -48.58 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -39.66 -40.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.1 mt -51.81 -50.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.811 0.339 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -87.65 118.55 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.78 160.34 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -9.54 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.67 -46.92 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.81 -12.6 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 67.44 42.05 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.6 t -90.38 -174.29 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.681 ' C ' HD12 ' A' ' 35' ' ' LEU . 23.9 mtmm -129.56 124.6 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -123.5 160.49 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -62.53 -59.67 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 49.6 m -152.71 176.39 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -46.94 -38.27 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -50.23 -39.51 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' C ' HD23 ' A' ' 35' ' ' LEU . 8.1 mm-40 -76.02 -39.17 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.7 tp -60.88 -40.66 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -53.25 -36.05 60.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 m -87.86 -42.86 12.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.487 ' CB ' HD21 ' A' ' 35' ' ' LEU . 49.7 t60 -59.26 -56.3 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.9 mt -45.6 -48.32 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -39.65 -41.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mt -51.62 -48.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.811 0.338 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.07 104.6 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -63.39 126.92 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 18.96 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 6.2 m80 -112.65 -37.95 4.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -133.11 -0.41 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.41 43.02 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 t -93.75 -174.86 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 35' ' ' LEU . 17.6 mtmm -134.46 124.6 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -121.57 160.7 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -67.4 -64.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 11.2 p -141.92 177.77 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 m -50.31 -47.74 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.2 -39.48 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -76.25 -37.06 58.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 35' ' ' LEU . 13.8 tp -66.53 -35.05 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -58.17 -29.67 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 m -94.13 -41.04 9.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CB ' HD21 ' A' ' 35' ' ' LEU . 64.9 t60 -62.48 -44.6 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -56.61 -45.03 81.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -43.09 -43.85 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -48.04 -38.61 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 35.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -123.48 103.05 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.76 123.13 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -90.92 32.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -128.74 -40.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -125.22 -9.85 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.42 46.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -103.31 -174.56 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 52.7 mttm -132.62 129.54 39.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.5 mp -125.84 161.87 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.47 -47.39 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m -173.67 -177.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -41.01 -61.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -31.68 -36.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 30.9 mm-40 -86.46 -43.06 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 10.8 tp -60.43 -51.03 71.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -46.15 -38.17 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.513 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 1.6 t -82.68 -53.03 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.473 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.7 t60 -49.39 -36.2 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.03 -44.47 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 7.8 m-20 -46.17 -37.33 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.68 -36.49 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -94.48 92.42 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -46.29 118.63 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD2' ' ND1' ' A' ' 30' ' ' HIS . 2.8 pptp? -84.25 31.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' ND1' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -128.57 -42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.03 -10.75 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 74.76 42.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -96.91 -175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 35' ' ' LEU . 25.2 mtmm -134.52 120.03 19.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 41' ' ' LEU . 7.5 mp -116.53 161.42 19.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -69.66 -60.48 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -149.08 176.24 10.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LEU . 31.8 m -46.24 -51.6 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.38 -39.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -80.96 -38.36 27.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -62.19 -46.06 90.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -50.16 -34.62 23.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -88.2 -44.3 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' HD21 ' A' ' 35' ' ' LEU . 70.6 t60 -55.52 -55.07 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.11 -49.59 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -40.9 -40.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 44' ' ' HIS . 32.2 mt -55.72 -52.01 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.8 m-85 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 95.84 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.93 112.13 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.62 14.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 10.9 m80 -102.75 -51.28 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -119.51 4.94 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.26 42.22 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -101.78 -174.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' C ' HD12 ' A' ' 35' ' ' LEU . 5.0 mtmp? -135.5 132.17 36.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -124.3 156.85 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' ' CD ' ' A' ' 40' ' ' GLU . 4.9 pt20 -63.76 -41.06 98.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -174.6 173.21 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' LEU . 59.3 m -41.66 -50.93 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.71 -40.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' ' HG2' ' A' ' 36' ' ' GLN . 10.6 mt-10 -83.24 -36.56 24.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.0 tp -61.63 -45.37 94.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.1 m -48.8 -37.25 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.65 -37.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CB ' HD21 ' A' ' 35' ' ' LEU . 82.2 t60 -61.7 -61.83 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 mt -45.91 -47.87 16.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -40.24 -42.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -52.03 -48.46 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 22.0 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -89.45 95.7 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.69 117.73 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.21 27.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -120.75 -44.04 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 33' ' ' SER . 14.0 p -123.28 -8.56 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 74.79 45.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -102.74 -174.15 2.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 35' ' ' LEU . 29.1 mtmm -134.44 123.71 24.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.4 mp -120.3 150.25 41.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -56.82 -61.07 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 3.4 t -154.04 177.83 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.7 m -42.65 -53.43 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.63 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.3 -38.92 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 35' ' ' LEU . 12.8 tp -61.7 -34.44 75.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.8 m -60.55 -34.13 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -89.33 -39.28 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.612 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.4 t60 -64.62 -46.91 80.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.03 -40.81 86.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -46.69 -37.22 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.36 -33.38 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -98.42 127.48 44.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -83.32 164.06 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -115.17 -9.9 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -89.88 -38.21 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -128.79 -10.22 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 65.16 42.0 4.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -89.13 -171.7 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -129.72 111.99 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 41' ' ' LEU . 10.5 mp -110.74 140.22 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -46.79 -56.98 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.529 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 1.8 t -161.33 179.38 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' GLU . 19.9 m -42.88 -53.59 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -33.11 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.1 mt-10 -89.34 -42.38 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -56.84 -43.68 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -52.93 -37.68 61.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -83.52 -46.0 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' HA ' HD12 ' A' ' 47' ' ' ILE . 86.3 t60 -57.77 -58.07 9.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.3 -50.58 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -42.57 -44.54 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 44' ' ' HIS . 29.6 mt -51.29 -37.97 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -93.04 89.74 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 t -45.34 141.49 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 21.29 15.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -117.62 -35.57 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.1 -1.14 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.44 40.26 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -87.71 -174.93 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -136.08 111.45 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.8 mp -109.47 161.99 14.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.51 -67.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 p -138.84 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 m -49.69 -46.52 50.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.06 -34.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 35' ' ' LEU . 13.4 tp -63.85 -36.12 82.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -57.36 -34.52 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -90.56 -42.99 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.2 t60 -58.8 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.31 -47.41 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -41.06 -40.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.7 mt -49.33 -48.98 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 2.6 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.851 0.357 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -102.74 98.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.14 131.51 47.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.68 17.17 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -111.9 -50.32 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -118.15 -1.58 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.63 41.18 5.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.7 p -93.34 177.23 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 37.2 mtmt -128.69 119.55 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD22 HD12 ' A' ' 41' ' ' LEU . 5.4 mp -118.22 144.74 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.76 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 3.8 t -164.88 177.69 7.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' LEU . 28.8 m -41.54 -52.3 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.01 -38.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -82.85 -39.99 20.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 HD22 ' A' ' 35' ' ' LEU . 11.1 tp -59.9 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.4 m -45.91 -35.66 4.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -85.73 -44.6 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.458 ' CB ' HD21 ' A' ' 35' ' ' LEU . 74.8 t60 -60.46 -60.57 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -51.13 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -38.7 -40.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.6 -48.72 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t 45.24 42.08 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -143.5 175.21 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.81 75.28 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -144.03 164.51 30.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -141.51 166.74 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.23 53.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -134.47 97.45 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -174.52 114.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -140.45 176.51 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -128.55 169.95 13.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' O ' HD13 ' A' ' 13' ' ' ILE . 10.3 p90 -113.19 168.94 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' PHE . 17.5 mm -144.66 126.53 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.0 mm -135.79 105.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 tp -171.6 139.19 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.16 87.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -101.08 -67.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.72 147.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 2.39 3.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.549 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.83 174.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 21' ' ' LEU . 1.7 mp -140.09 148.89 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -63.55 145.79 54.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -141.77 107.05 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m 38.52 43.71 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -95.37 155.34 16.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -105.44 112.86 26.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -87.95 90.04 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -48.31 149.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -107.27 30.79 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -130.04 -39.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.1 p -128.5 -3.91 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.73 46.28 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.8 t -95.75 -175.15 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -135.48 109.64 8.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 41' ' ' LEU . 8.2 mp -108.07 159.92 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.74 -57.69 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 29.8 m -154.54 177.82 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' LEU . 13.1 m -46.08 -52.87 11.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.8 -38.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -84.05 -38.53 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD12 HD22 ' A' ' 35' ' ' LEU . 12.3 tp -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -46.59 -38.37 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -85.56 -50.87 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.58 ' HA ' HD12 ' A' ' 47' ' ' ILE . 72.5 t60 -47.7 -47.64 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' HIS . 13.6 mt -54.54 -55.59 27.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m-80 -37.72 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 44' ' ' HIS . 30.1 mt -53.15 -46.11 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.9 m-70 -53.15 -48.49 67.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -50.27 -54.94 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.22 -47.19 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -59.34 -33.28 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.89 -41.69 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -50.64 -48.11 58.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 4.2 tmtm? -80.51 -53.96 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LYS . 33.5 tpt85 -49.14 -33.69 12.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.89 79.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -98.6 -176.37 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 -79.02 45.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.74 169.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.93 -60.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -87.58 120.66 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -133.9 99.56 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -147.57 168.62 21.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -147.18 134.26 20.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.781 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -67.78 163.51 21.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -106.11 163.13 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -124.97 86.03 2.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -42.73 145.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -147.84 129.35 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -106.03 170.97 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -162.39 162.61 27.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.85 149.86 24.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -95.64 -50.05 5.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.52 125.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.62 -59.43 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -65.66 126.05 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -168.79 150.27 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -142.04 116.17 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -137.98 144.63 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -46.76 -52.2 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' SER . 0.0 OUTLIER 40.45 45.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLU . 54.0 p -34.6 123.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.57 -169.88 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 138.34 37.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 88.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -37.64 -43.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.456 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -159.51 145.61 16.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -171.33 145.19 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 -105.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 53.86 50.65 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -93.35 159.28 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.86 162.05 29.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.88 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -174.59 142.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -164.41 125.66 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -141.46 177.08 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -137.93 169.94 16.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -130.74 170.06 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' C ' HG13 ' A' ' 14' ' ' ILE . 2.8 pp -124.97 169.85 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.744 ' C ' HD22 ' A' ' 15' ' ' LEU . 86.0 mt -150.0 146.99 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 14' ' ' ILE . 2.9 mm? -124.31 156.71 36.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.02 29.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -138.39 146.28 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.8 151.35 22.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.82 26.29 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -136.87 158.59 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 tp -51.82 132.43 31.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -87.84 165.77 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -116.72 143.14 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 p -84.45 43.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -57.59 136.05 56.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.21 121.16 24.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -90.94 92.51 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -45.86 121.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.65 16.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -111.95 -43.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.5 p -125.26 1.29 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 64.5 33.67 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -83.61 -176.4 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.67 ' C ' HD12 ' A' ' 35' ' ' LEU . 42.7 mttp -132.07 125.19 30.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -123.78 161.07 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.52 -53.48 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -160.11 174.51 14.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -40.34 -53.38 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.04 -38.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 35' ' ' LEU . 61.3 mm-40 -80.55 -40.72 25.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.523 ' CD1' HD22 ' A' ' 35' ' ' LEU . 11.7 tp -59.78 -48.77 80.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -48.09 -33.64 8.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -90.45 -36.26 14.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CB ' HD21 ' A' ' 35' ' ' LEU . 71.0 t60 -66.55 -60.18 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.19 -44.5 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.94 -41.69 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 78.4 mt -50.41 -37.45 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -74.78 -58.53 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -44.66 -48.75 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 8.3 pt-20 -61.26 -36.13 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -71.83 -40.0 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -46.93 -44.44 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -58.42 -56.0 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.72 -44.58 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ALA . 9.1 tpp180 -38.94 -54.7 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' LYS . . . -35.02 -43.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -35.56 135.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -125.23 169.43 12.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -169.96 126.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -109.4 69.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -129.01 92.82 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -103.39 130.03 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 64' ' ' GLN . 6.9 tmtm? -132.32 146.53 52.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 27.5 mm-40 -58.99 175.47 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -119.7 168.26 11.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 66' ' ' LEU . 1.4 pt? -142.0 150.69 41.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -167.18 151.54 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -173.27 139.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -156.37 158.48 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -139.97 174.64 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -150.67 171.86 16.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.08 168.36 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -173.88 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.45 122.07 1.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.36 164.98 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -171.92 164.65 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.15 174.16 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -159.54 162.47 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.15 177.79 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -113.83 177.89 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.63 173.06 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.4 m -94.33 171.35 8.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.25 140.1 16.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.15 15.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -65.58 -57.37 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLY . 23.2 t 64.54 43.84 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -63.19 112.64 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -164.63 145.67 7.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.78 -113.49 1.99 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t 63.77 43.73 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -107.59 145.99 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 -175.08 19.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.97 123.69 12.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' HD13 ' A' ' 8' ' ' LEU . 17.5 mtmt -105.16 171.82 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -145.65 120.34 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 15.7 m-20 -111.24 105.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 13.4 m-85 -151.37 109.67 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' ILE . 9.7 tp -118.16 -14.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 14' ' ' ILE . 4.8 mp 37.54 54.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 15' ' ' LEU . 2.4 pp -78.86 136.56 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -172.08 100.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -99.74 159.18 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.41 169.34 40.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.27 69.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -121.95 110.88 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mp 56.03 41.78 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 4.0 pm0 -43.81 -41.03 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' HG2' ' A' ' 22' ' ' GLN . 75.9 m-20 -132.92 156.47 47.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -67.55 132.67 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 p -120.06 132.19 55.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 -88.69 114.62 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 104.28 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.49 108.5 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 12.82 2.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -100.6 -43.4 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.97 4.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.13 41.55 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 t -103.33 -174.47 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' C ' HD12 ' A' ' 35' ' ' LEU . 41.8 mttp -135.42 131.71 36.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.656 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -126.05 158.34 35.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.94 -53.16 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 12.2 m -161.97 174.34 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 38.8 m -41.49 -50.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.5 -38.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -83.61 -40.06 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 35' ' ' LEU . 11.6 tp -59.64 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 m -44.79 -37.46 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -85.51 -45.59 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.454 ' CB ' HD21 ' A' ' 35' ' ' LEU . 69.9 t60 -57.8 -61.0 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -41.22 -49.4 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -40.89 -45.94 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.8 mt -46.53 -45.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -60.33 -55.95 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -41.38 -57.24 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -56.03 -46.64 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.87 -37.7 77.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.85 -50.07 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.39 -50.77 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -57.32 -43.22 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -66.62 -60.97 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 41.43 42.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -102.62 41.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -49.41 125.85 11.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -78.91 158.93 27.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -75.19 88.31 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.68 152.04 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -41.52 132.84 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -59.11 170.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -97.44 122.63 40.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.756 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -60.42 147.65 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 67' ' ' SER . 4.4 pp -161.03 178.42 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.667 ' O ' HD12 ' A' ' 66' ' ' LEU . 22.9 t -35.64 146.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -70.23 136.45 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -170.24 139.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.1 152.78 24.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.67 -61.52 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -174.05 174.58 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -151.88 165.57 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.77 169.41 42.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.11 176.91 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -159.98 165.47 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.87 164.24 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -172.74 162.39 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -123.61 178.03 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -112.22 -60.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -173.86 -179.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -138.99 157.09 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -155.29 166.78 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -157.57 117.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.66 9.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -155.92 151.99 27.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.9 m -156.44 178.46 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.487 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.71 145.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -171.2 174.81 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.29 166.85 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -150.43 162.2 41.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -89.57 169.88 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.02 133.0 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.76 111.54 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.65 175.55 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -81.02 79.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -153.88 106.12 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -174.42 110.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.4 132.31 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.1 mm -106.8 112.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 15' ' ' LEU . 2.3 pt? -97.98 155.12 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.66 53.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -157.16 133.18 9.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.82 -178.79 3.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 153.8 68.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LEU . 10.5 ptt180 -69.43 177.82 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -35.68 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.952 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -101.19 -60.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.47 127.09 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 m -92.04 80.42 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 34' ' ' LYS . 1.2 m -107.89 147.45 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.7 m-85 -89.24 117.79 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -96.63 114.02 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -69.04 167.35 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -11.96 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -45.46 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.2 p -115.94 -18.68 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 71.93 37.62 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -88.94 -176.03 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.594 ' C ' HD12 ' A' ' 35' ' ' LEU . 32.7 mttt -126.59 121.68 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.652 HD22 HD12 ' A' ' 41' ' ' LEU . 7.1 mp -120.47 149.05 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -52.96 -55.43 23.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.1 m -162.38 -177.87 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -45.38 -55.3 6.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.21 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' THR . 36.2 mm-40 -90.16 -38.18 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.652 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -63.58 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -59.28 -35.55 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -86.22 -44.02 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CB ' HD21 ' A' ' 35' ' ' LEU . 18.1 t60 -59.81 -44.16 94.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.82 -47.49 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -40.84 -39.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.0 mt -53.85 -45.74 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.62 -49.66 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -50.92 -61.08 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -41.54 -49.71 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.74 -40.95 88.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.24 -44.95 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.09 -41.49 68.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -63.76 -35.1 79.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 36.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -97.92 -59.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -66.75 -55.98 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -132.04 117.46 18.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.28 -49.84 11.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.03 -179.91 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.573 ' O ' HD22 ' A' ' 65' ' ' LEU . 19.9 ttm180 -84.38 32.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 64' ' ' GLN . 6.5 tmtt? -39.9 155.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 51.0 mt-30 68.59 53.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.844 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.3 pt? -120.34 118.68 31.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.658 ' H ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -86.19 12.17 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.9 p -67.95 109.81 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -148.79 151.23 34.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -116.26 170.54 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -116.65 168.25 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -134.51 156.3 48.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.57 168.52 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.02 -62.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.94 155.65 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 76' ' ' PHE . . . -167.42 160.58 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 33.3 m-85 -162.27 170.87 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.57 155.55 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.22 168.14 24.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.38 -178.51 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -159.55 156.31 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -175.19 132.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -146.48 156.06 43.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -161.69 159.53 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -178.16 124.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 p -165.9 134.02 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.2 m -95.52 -61.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.496 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -108.26 175.74 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -173.88 151.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.51 140.33 14.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -128.34 46.46 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -87.01 159.66 18.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.36 100.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 2.1 tp -133.5 102.18 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HE2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -114.3 110.72 20.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -121.25 107.06 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 2.6 p-10 -163.27 105.53 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -168.78 175.61 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 mm -100.65 132.52 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.4 mp -83.7 133.99 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD23 ' H ' ' A' ' 15' ' ' LEU . 2.5 pt? -83.15 170.55 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.92 -51.26 8.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -38.52 152.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.75 -163.06 25.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 81.52 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -144.75 135.8 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 21' ' ' LEU . 4.0 mm? -61.61 139.46 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -102.62 81.56 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.75 138.42 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 t -126.41 139.63 53.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -113.38 127.66 56.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -78.74 116.52 19.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 102.1 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.0 158.41 2.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.27 6.04 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -105.96 -39.08 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -126.82 -6.97 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.0 46.48 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.08 -174.04 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -133.41 107.7 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 44' ' ' HIS . 7.8 mp -105.98 160.04 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -66.8 -59.51 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.7 m -152.69 175.85 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' LEU . 26.1 m -43.34 -53.79 5.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.11 -37.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -80.38 -39.04 29.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.0 tp -63.48 -40.03 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.8 m -53.53 -34.3 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -89.75 -37.27 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.475 ' CB ' HD21 ' A' ' 35' ' ' LEU . 84.3 t60 -61.4 -54.91 37.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.5 mt -52.54 -40.35 62.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -51.62 -35.85 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.1 -26.39 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ASN . 16.5 m-70 -76.41 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -36.51 -62.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 21.7 pt-20 -33.97 -44.67 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 7.7 mm-40 -70.48 -47.9 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.1 t80 -49.95 -44.9 50.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.33 -45.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -55.23 -52.91 61.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -67.48 -53.3 29.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' LYS . . . 41.49 42.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.3 tmtt? -35.35 116.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 57' ' ' LYS . 23.0 mmm180 -34.39 130.33 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -157.34 168.25 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -85.16 80.17 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 155.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -50.9 126.44 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -155.51 130.99 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' H ' ' CD ' ' A' ' 64' ' ' GLN . 2.1 pm0 -64.84 110.61 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 65' ' ' LEU . 2.4 mm? -41.15 112.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.579 HD23 ' H ' ' A' ' 66' ' ' LEU . 1.1 pt? -59.19 168.4 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.4 p -127.97 141.8 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -112.41 136.92 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 4.4 tp-100 -140.02 158.21 44.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 9.5 ptpp? -137.11 141.22 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -119.9 115.06 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 129.27 29.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -114.68 154.23 28.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.0 -127.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.37 147.91 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -78.53 156.94 28.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.55 116.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 155.35 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -159.41 171.3 20.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 154.27 39.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -103.43 173.09 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 39.21 43.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.4 p -51.48 157.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.05 167.15 9.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.525 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -179.67 3.08 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 m -108.13 165.08 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.5 p -124.18 -49.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -109.26 101.74 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -140.82 153.35 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.74 -135.81 8.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t 65.79 42.73 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -128.38 113.17 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.53 159.17 23.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.13 107.82 3.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -147.51 115.46 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.9 108.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -105.32 169.56 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' HD12 ' A' ' 14' ' ' ILE . 7.7 p90 -134.06 176.42 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 pt -83.36 110.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 12' ' ' PHE . 5.2 mp -99.67 91.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 ' OD1' ' A' ' 17' ' ' ASN . 7.6 tt -121.85 -45.13 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.54 74.38 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.6 ' OD1' HD22 ' A' ' 15' ' ' LEU . 2.9 m120 -42.95 161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.68 -167.96 12.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 90.7 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.36 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -109.48 148.59 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 21' ' ' LEU . 4.7 mp -97.74 146.2 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -141.75 166.82 23.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -44.35 138.0 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.29 136.42 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.6 p -133.99 163.89 28.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -111.52 123.89 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.99 105.69 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.37 118.45 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.97 11.2 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -104.51 -43.87 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.0 -11.39 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 74.71 44.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -95.47 -174.52 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.687 ' C ' HD12 ' A' ' 35' ' ' LEU . 28.2 mtmt -132.06 125.2 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.687 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.9 mp -123.87 149.43 45.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -56.29 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -155.78 177.12 11.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 85.5 m -46.58 -49.58 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.59 -37.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.45 -39.06 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.5 tp -61.74 -42.99 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.7 m -51.0 -30.87 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -94.45 -41.27 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CB ' HD21 ' A' ' 35' ' ' LEU . 55.8 t60 -58.49 -49.6 76.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -52.38 -44.07 65.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -48.68 -37.82 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.9 mt -53.01 -30.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -81.29 -55.3 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -46.13 -54.3 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' OE2' ' CG ' ' A' ' 51' ' ' GLU . 2.4 pp20? -52.53 -38.51 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 15.9 mt-10 -67.93 -42.72 80.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -44.76 -50.45 10.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -62.19 -46.72 87.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -66.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -48.47 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.6 40.72 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' ARG . 16.7 tptm -108.43 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' LYS . 18.8 ttm180 -34.36 148.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 60' ' ' GLU . 8.5 pt20 -82.7 40.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' GLN . 24.4 mt-10 34.37 52.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -118.21 125.87 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -88.88 101.12 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -71.01 -45.36 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.75 149.82 27.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.38 149.94 28.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.3 mt -140.52 115.53 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -122.76 133.58 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -170.12 135.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.77 133.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -174.74 129.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.13 124.72 5.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -174.1 161.56 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -168.51 145.65 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.49 99.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.63 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.348 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -158.78 146.24 17.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 78' ' ' ASP . . . -129.67 -57.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 77' ' ' ALA . 5.7 m-20 -174.96 171.43 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -160.84 147.61 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 151.45 38.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -139.64 175.96 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.51 157.55 15.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.3 p -109.97 160.02 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.85 155.46 26.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.284 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -121.61 85.25 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -155.21 163.93 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.482 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -43.14 110.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -143.18 168.29 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.21 158.3 21.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -169.85 146.7 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -104.23 125.4 50.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.71 89.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 9' ' ' LYS . 8.7 tp -98.96 151.73 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 6.9 pttm -73.5 78.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 2.5 tmm_? -111.37 99.53 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -160.7 177.02 10.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -146.98 144.84 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.51 118.1 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 mm -119.26 102.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.26 93.55 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.73 74.2 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -173.34 149.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.21 -146.99 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -126.43 -60.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.18 116.57 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -110.16 103.31 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -90.09 173.52 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 t -114.55 97.71 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.64 145.83 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -93.14 114.05 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 24.5 tp60 -84.68 99.3 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.67 119.11 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -82.51 16.1 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -108.78 -46.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.6 p -125.05 6.63 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.9 m-20 64.49 26.66 13.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -81.33 -174.53 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 35' ' ' LEU . 46.5 mttm -135.35 129.91 34.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.618 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.0 mp -123.98 160.5 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -61.61 -57.62 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 34.1 m -148.44 -178.12 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -35.43 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.62 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' C ' HD23 ' A' ' 35' ' ' LEU . 26.4 mt-10 -77.86 -33.2 52.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.7 tp -65.44 -42.33 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -51.28 -35.99 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -89.98 -46.36 8.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.618 ' CB ' HD21 ' A' ' 35' ' ' LEU . 78.5 t60 -50.88 -53.11 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.93 -48.02 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -44.81 -45.72 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.68 -34.46 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -71.92 -49.11 40.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.43 -53.68 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.9 pt-20 -52.71 -41.67 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 5.7 mm-40 -71.03 -45.42 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -58.71 -48.11 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -41.39 -50.58 3.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' LYS . 18.9 tptt -54.21 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -39.83 -31.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.05 29.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -50.59 -46.92 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -54.67 178.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.74 114.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -53.06 169.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 1.9 mpp_? -100.97 160.9 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -116.79 41.67 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -124.51 32.38 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -133.46 -44.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.63 -32.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -40.17 101.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 m -142.14 135.96 29.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -144.21 177.25 8.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -158.5 151.63 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -150.43 154.13 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.05 173.92 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 73' ' ' ASP . . . -154.24 147.26 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 72' ' ' ALA . 8.8 m-20 -162.27 163.68 27.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.51 -171.9 24.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.24 162.84 28.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' ALA . 34.3 t80 -89.45 167.1 13.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 76' ' ' PHE . . . -108.9 134.49 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -121.63 -28.65 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.98 96.54 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 81' ' ' GLN . 30.3 tttp -90.72 156.02 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' N ' ' HG2' ' A' ' 80' ' ' LYS . 39.8 mt-30 -89.76 86.29 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.17 173.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.5 m -95.95 151.22 19.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.43 -76.11 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 172.3 12.87 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 m -52.78 -55.78 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.0 p -69.61 116.97 10.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.495 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -69.52 175.48 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -118.01 42.11 2.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.99 -168.92 54.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -158.03 154.65 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -86.68 170.98 11.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.85 99.72 0.59 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.9 mt -128.87 -62.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -108.33 167.16 10.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -119.48 86.63 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.458 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 7.9 m-20 -98.99 102.08 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 3.3 m-85 -152.11 168.15 26.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' HG13 ' A' ' 14' ' ' ILE . 3.2 tp -174.46 118.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 15' ' ' LEU . 7.6 mt -139.47 161.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 14' ' ' ILE . 5.0 mp 64.12 47.08 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 41.17 1.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -161.89 174.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.02 95.76 2.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.64 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -65.34 -46.55 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 1.9 pt? -174.44 138.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 21' ' ' LEU . 15.0 mp0 -146.15 115.71 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.64 139.94 57.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -71.64 139.42 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.7 p -110.54 141.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.3 m-85 -94.52 114.03 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.07 99.35 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.25 122.33 16.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.57 22.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -118.11 -38.55 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.57 -1.22 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.05 38.92 8.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -91.73 -174.56 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' C ' HD12 ' A' ' 35' ' ' LEU . 27.4 mtmm -135.03 125.43 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 44' ' ' HIS . 10.0 mp -125.48 159.91 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -62.78 -52.55 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 t -166.63 174.85 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' LEU . 90.2 m -38.17 -54.21 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.16 -44.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . 9.4 mm-40 -79.84 -37.66 34.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -60.93 -33.84 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -61.79 -34.09 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.1 t -88.37 -40.35 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.7 t60 -64.36 -45.85 85.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.21 -42.72 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -45.13 -40.26 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -53.65 -36.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -71.35 -45.29 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -62.92 -48.51 78.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.3 pt-20 -59.63 -39.0 82.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 48.6 mm-40 -73.67 -40.86 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -48.08 -45.12 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -40.79 -50.84 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -70.73 -41.77 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -42.31 -33.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.32 83.83 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -52.45 146.52 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -127.01 -44.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -111.17 177.79 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -74.26 166.19 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 23.4 ttp180 -145.4 154.98 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 52.5 ttp85 -113.54 152.42 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.83 171.54 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.29 -179.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.49 -60.16 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -39.62 139.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 m -159.98 177.23 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -129.9 176.03 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -146.8 164.24 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -128.6 172.6 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -131.36 177.76 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.56 176.26 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.24 178.8 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 173.75 158.95 19.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.79 174.15 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -162.6 170.23 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.68 174.56 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.79 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -136.62 177.68 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.28 154.1 44.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.91 176.84 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -151.5 130.97 12.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -171.16 163.89 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.47 88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.89 4.13 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.3 p -138.62 149.41 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -164.53 163.2 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.484 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -55.92 125.34 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -147.76 158.64 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.86 -45.94 2.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 54.21 42.21 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -112.01 113.89 26.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.86 -171.02 41.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -93.35 117.68 30.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' N ' HD13 ' A' ' 8' ' ' LEU . 1.8 mppt? -74.23 121.33 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.54 128.48 9.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -87.71 145.83 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -39.89 110.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.32 141.03 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -83.98 103.52 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD23 ' H ' ' A' ' 15' ' ' LEU . 2.6 pt? -139.11 135.29 33.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.1 59.11 0.65 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -129.38 127.06 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -81.77 121.17 5.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.41 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 71.0 54.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -132.77 77.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.81 126.47 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -134.36 83.15 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.4 m -84.39 -42.64 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' SER . 17.3 p -37.64 144.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -89.75 139.94 30.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.72 104.1 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.66 123.63 17.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 29' ' ' LYS . 2.2 pptp? -87.1 35.17 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -132.61 -41.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.5 p -127.52 -2.04 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.56 47.92 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 t -97.68 -174.69 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.668 ' C ' HD12 ' A' ' 35' ' ' LEU . 36.3 mttp -134.78 127.19 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.2 mp -123.73 153.1 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.21 -57.12 14.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.9 m -152.32 174.36 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' LEU . 89.2 m -45.62 -49.97 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.34 -37.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' C ' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -81.43 -36.57 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 tp -65.29 -39.4 92.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 22.8 m -54.77 -32.07 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -94.37 -40.83 9.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CB ' HD21 ' A' ' 35' ' ' LEU . 76.4 t60 -59.29 -45.92 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.77 -44.95 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 42' ' ' THR . 20.2 m-80 -45.38 -39.44 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.8 mt -52.02 -36.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -75.5 -51.27 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -54.94 -55.22 33.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.1 pt-20 -46.56 -38.65 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 20.7 mt-10 -67.65 -42.45 82.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.55 -52.04 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.5 -45.93 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' ARG . 7.2 tptm -56.64 -62.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' LYS . 52.9 ttm-85 -34.2 -53.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.26 78.23 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.37 143.73 19.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.66 165.33 36.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 67.64 47.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -170.15 105.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 82.58 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -143.34 109.46 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -149.09 157.49 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.78 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.93 175.99 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.3 mt -108.11 153.55 22.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -99.77 171.73 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 174.65 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -135.56 169.62 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -117.18 160.24 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -153.19 172.55 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.96 170.6 14.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.33 173.95 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.54 173.52 26.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.24 177.36 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -151.28 172.7 15.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.48 171.52 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.09 178.02 7.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -152.36 165.56 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -72.69 169.19 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.63 -57.49 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.445 ' O ' ' CD ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER 61.58 41.42 12.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.64 154.95 20.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.36 78.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.53 45.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 m -162.92 136.01 5.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 m -145.02 139.26 27.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.459 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -95.07 153.77 17.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.931 0.396 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -114.82 98.36 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.11 -169.5 12.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.8 p -164.01 175.52 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 91.4 p -34.85 112.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.0 152.79 7.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 8' ' ' LEU . 1.3 tm? -174.19 119.59 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.68 149.82 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -121.84 -175.04 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.77 175.28 8.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.746 ' HD2' HD13 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -112.13 152.4 28.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.806 ' C ' HD12 ' A' ' 14' ' ' ILE . 3.2 pt -133.33 100.6 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.806 HD12 ' C ' ' A' ' 13' ' ' ILE . 4.2 mp -148.37 113.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 15' ' ' LEU . 5.3 mp -121.5 168.46 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.06 -85.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.6 m120 61.94 39.97 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.0 112.39 4.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.72 28.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.82 42.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 mt -116.57 99.13 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -107.62 86.56 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -53.96 174.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' THR . 43.8 t -80.61 -36.11 33.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 80.6 p -34.33 131.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 3.9 m-85 -85.74 116.52 24.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.9 109.63 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -62.67 161.76 11.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.29 -1.53 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -99.35 -37.78 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -127.54 -8.04 5.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.98 38.47 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -87.09 -174.86 5.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.709 ' C ' HD12 ' A' ' 35' ' ' LEU . 43.3 mttt -128.89 128.21 43.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.4 mp -125.81 160.31 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -63.48 -61.93 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 26.7 p -143.43 177.3 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -53.17 -40.93 64.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -47.11 -40.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -73.56 -35.94 65.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.2 tp -64.16 -42.28 96.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.2 m -50.94 -36.57 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -88.38 -44.46 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CB ' HD21 ' A' ' 35' ' ' LEU . 73.7 t60 -52.13 -45.07 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.19 -52.02 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -39.1 -42.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.83 -53.84 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -43.99 -71.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.614 ' ND2' ' H ' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -49.61 -50.03 44.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.05 -42.14 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.43 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.5 -44.04 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -40.46 -49.66 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -44.28 -48.2 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -74.76 -55.65 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.72 40.87 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.08 52.51 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 59' ' ' GLN . 2.4 ptp180 -56.12 -32.91 64.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 35.4 tt0 -170.99 106.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -145.59 142.36 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -102.97 106.4 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -160.45 150.78 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -110.18 155.71 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' LEU . 19.9 pt20 -66.28 -53.52 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 8.9 mt -156.94 177.36 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 81.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -156.42 150.66 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.41 41.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' CD ' ' C ' ' A' ' 69' ' ' GLN . 1.9 pp0? -54.24 175.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 159.91 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -89.2 143.13 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.83 144.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -164.46 159.88 19.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.5 165.28 30.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.45 174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' ALA . 41.0 t80 -169.35 169.11 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' PHE . . . -151.26 158.81 44.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.18 175.57 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -166.43 159.23 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 33.2 tptt -161.25 152.85 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 4.7 pp0? -112.81 -47.37 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' GLN . 9.4 tt0 35.12 41.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 p -106.16 174.03 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.64 146.35 14.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.42 2.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -150.01 175.93 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.515 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -130.98 -64.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -165.04 -179.5 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.97 -170.18 19.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.542 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -145.24 179.93 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -146.28 -177.05 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.603 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -166.65 117.03 0.71 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -135.24 136.69 41.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 8' ' ' LEU . 1.5 mptt -152.14 -178.37 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -120.36 167.67 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.93 -178.4 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 63.19 55.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.514 ' O ' ' C ' ' A' ' 14' ' ' ILE . 8.3 tt -66.76 -1.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 13' ' ' ILE . 7.5 mm -28.17 141.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -170.52 173.05 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 17' ' ' ASN . . . 158.72 120.43 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 7.5 m120 -162.39 147.72 12.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.36 166.36 30.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 98.86 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -91.3 -39.97 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 21' ' ' LEU . 4.2 mm? -51.63 118.38 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -115.88 81.84 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -155.33 114.06 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -87.98 42.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.7 p -50.3 171.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -109.36 125.37 52.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 104.83 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.69 139.86 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.21 28.87 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -129.4 -40.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.98 -8.99 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 69.04 46.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -96.07 -175.0 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.616 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.3 mtmp? -133.15 123.86 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -121.55 160.89 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -65.21 -59.09 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.5 m -154.41 174.3 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 m -42.36 -49.83 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.35 -39.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.26 -40.64 30.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.2 tp -58.95 -46.08 88.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.4 m -51.26 -33.29 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -89.06 -37.86 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CB ' HD21 ' A' ' 35' ' ' LEU . 60.0 t60 -65.17 -59.95 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.09 -48.58 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -39.66 -40.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.1 mt -51.81 -50.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -54.3 -59.09 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.22 -58.26 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -50.94 -48.29 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.85 -40.94 70.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.65 -42.45 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -49.71 -48.6 49.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HE2' ' N ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -44.27 -49.96 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -56.6 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 39.25 37.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.29 157.9 45.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -126.45 140.12 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -47.81 167.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 60' ' ' GLU . 2.7 pm0 -43.72 126.91 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -174.12 141.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ARG . 63.0 mtm180 -35.98 109.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -138.63 155.82 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -134.84 123.12 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.39 -179.47 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.715 HD22 ' C ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.23 157.38 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -171.02 128.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -145.28 114.32 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -147.82 128.3 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -147.48 167.7 23.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 175.48 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.27 154.41 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -159.56 171.34 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.3 -177.52 24.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.79 158.86 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -142.85 167.92 20.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.55 153.23 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -123.93 166.17 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -144.68 165.38 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -84.18 175.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -140.74 174.81 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -135.01 146.99 49.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -129.21 -60.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.62 123.46 3.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -167.65 166.1 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -114.08 150.42 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.493 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -167.27 -176.22 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m 63.76 44.85 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.04 117.26 5.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -143.05 168.08 20.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 m -151.0 170.48 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.0 55.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.572 HD23 ' C ' ' A' ' 8' ' ' LEU . 3.1 tt -174.65 108.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' N ' HD23 ' A' ' 8' ' ' LEU . 37.4 mmtt -152.56 131.21 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.35 163.02 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.73 -64.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.611 ' O ' HD13 ' A' ' 13' ' ' ILE . 9.3 p90 -174.49 170.97 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 12' ' ' PHE . 26.5 mm -147.0 134.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.49 140.42 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -142.1 117.64 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.9 86.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -151.84 110.09 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.27 -174.47 29.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.6 3.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.1 119.54 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -85.87 -25.89 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.65 ' H ' HD12 ' A' ' 21' ' ' LEU . 51.8 tp60 -168.59 130.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 24' ' ' SER . 11.8 m-80 -115.57 -63.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 23' ' ' ASN . 42.5 m 34.27 40.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 p -60.37 141.31 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.4 m-85 -88.65 114.19 25.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -87.65 118.55 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.78 160.34 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -9.54 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.67 -46.92 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.81 -12.6 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 67.44 42.05 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.6 t -90.38 -174.29 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.681 ' C ' HD12 ' A' ' 35' ' ' LEU . 23.9 mtmm -129.56 124.6 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -123.5 160.49 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -62.53 -59.67 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 49.6 m -152.71 176.39 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -46.94 -38.27 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -50.23 -39.51 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' C ' HD23 ' A' ' 35' ' ' LEU . 8.1 mm-40 -76.02 -39.17 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.7 tp -60.88 -40.66 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -53.25 -36.05 60.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 m -87.86 -42.86 12.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.487 ' CB ' HD21 ' A' ' 35' ' ' LEU . 49.7 t60 -59.26 -56.3 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.9 mt -45.6 -48.32 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -39.65 -41.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mt -51.62 -48.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -53.68 -47.37 70.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.6 -65.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.69 -56.37 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.83 -44.06 73.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -47.75 -43.7 27.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -76.46 -54.89 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -50.88 8.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.81 -44.17 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.65 34.99 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -118.31 124.27 47.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -79.27 146.27 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 56.36 43.03 26.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -154.14 105.31 2.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -145.99 142.53 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -160.38 141.66 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.67 124.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.736 ' C ' HD12 ' A' ' 65' ' ' LEU . 56.9 mm-40 -157.31 106.29 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 64' ' ' GLN . 5.5 mp -156.4 126.88 6.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.9 mt -44.14 120.92 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -87.67 129.74 35.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -83.15 166.72 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -79.21 173.66 12.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.82 -37.24 7.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -97.52 38.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.01 -55.74 31.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.86 -42.62 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.26 -96.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.77 111.58 4.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 8.8 p90 -131.67 96.23 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.37 172.82 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -167.84 144.62 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' CE ' ' HG3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -80.05 153.32 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -127.07 158.35 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' HG3' ' CE ' ' A' ' 80' ' ' LYS . 82.5 mt-10 -146.27 144.73 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.7 m -121.52 -52.17 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.52 127.21 3.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.52 4.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.7 t -150.7 152.29 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.7 p -163.05 166.75 23.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.48 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -138.74 157.84 45.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -142.23 165.38 27.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.66 148.35 5.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -168.67 151.1 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -142.44 161.99 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.79 83.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -116.9 -49.52 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HA ' ' CE ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -38.18 132.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -167.92 146.7 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -145.05 175.47 10.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.5 p90 -143.39 176.43 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.43 ' C ' HG13 ' A' ' 14' ' ' ILE . 43.3 pt -140.87 140.94 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 13' ' ' ILE . 56.0 mt -145.15 138.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -116.43 119.48 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.5 137.66 6.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -156.11 158.3 37.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.99 120.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.69 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 -73.8 170.43 15.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.8 mt -46.25 112.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -103.14 85.24 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.77 175.57 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -104.11 106.07 16.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -117.68 164.8 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -110.52 113.44 26.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.07 104.6 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -63.39 126.92 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 18.96 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 6.2 m80 -112.65 -37.95 4.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -133.11 -0.41 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.41 43.02 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 t -93.75 -174.86 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 35' ' ' LEU . 17.6 mtmm -134.46 124.6 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -121.57 160.7 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -67.4 -64.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 11.2 p -141.92 177.77 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 m -50.31 -47.74 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.2 -39.48 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -76.25 -37.06 58.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 35' ' ' LEU . 13.8 tp -66.53 -35.05 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -58.17 -29.67 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 m -94.13 -41.04 9.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CB ' HD21 ' A' ' 35' ' ' LEU . 64.9 t60 -62.48 -44.6 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -56.61 -45.03 81.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -43.09 -43.85 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -48.04 -38.61 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 35.2 m-70 -72.15 -60.76 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -45.46 -53.5 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 15.2 pt-20 -53.25 -35.43 59.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 6.0 mm-40 -75.33 -43.57 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.99 -41.47 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -46.57 -40.91 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -67.65 -42.6 81.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -59.7 -40.44 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.15 37.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 157.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -59.3 151.23 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -162.93 172.28 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 34.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -132.21 37.81 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -138.72 178.88 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 2.0 tmtm? -174.91 137.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.15 164.99 7.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -144.02 159.5 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -101.41 168.84 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.0 p -138.68 171.06 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -168.31 147.12 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 pm0 -169.72 147.56 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -167.03 134.99 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -143.81 156.45 44.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.39 159.01 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -120.99 -57.8 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 160.13 23.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -147.5 177.43 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -121.03 -61.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.666 ' HB1' ' CE1' ' A' ' 79' ' ' PHE . . . -174.61 173.88 2.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 77' ' ' ALA . 7.6 m-20 -168.58 113.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.666 ' CE1' ' HB1' ' A' ' 77' ' ' ALA . 12.4 m-85 -134.7 123.45 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.81 151.76 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -151.27 156.28 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -174.8 170.76 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -87.57 164.87 15.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.81 142.95 7.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 175.08 8.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.3 p -153.86 116.94 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -171.46 121.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -160.64 170.66 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -137.95 177.96 7.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.01 151.11 17.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -159.98 161.5 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -136.58 165.17 26.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.33 170.51 35.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.54 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -172.64 120.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -56.07 143.58 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' CD ' ' O ' ' A' ' 8' ' ' LEU . 1.4 mpt_? -125.15 177.8 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.39 164.28 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -105.71 172.51 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 HD13 ' N ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -144.87 154.01 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.787 HG22 ' H ' ' A' ' 16' ' ' GLY . 4.8 mp -120.66 143.34 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.7 pp -111.63 30.09 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.787 ' H ' HG22 ' A' ' 14' ' ' ILE . . . -35.77 129.96 0.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -88.18 -58.12 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.14 163.51 0.9 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.89 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -83.9 -60.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -103.05 111.62 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -108.97 -21.9 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.5 m120 -94.88 21.6 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' ASN . 90.5 p 35.74 39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -63.8 142.03 58.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.5 m-85 -83.5 156.3 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -123.48 103.05 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.76 123.13 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -90.92 32.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -128.74 -40.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -125.22 -9.85 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.42 46.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -103.31 -174.56 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 52.7 mttm -132.62 129.54 39.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.5 mp -125.84 161.87 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.47 -47.39 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m -173.67 -177.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -41.01 -61.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -31.68 -36.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 30.9 mm-40 -86.46 -43.06 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 10.8 tp -60.43 -51.03 71.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -46.15 -38.17 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.513 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 1.6 t -82.68 -53.03 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.473 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.7 t60 -49.39 -36.2 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.03 -44.47 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 7.8 m-20 -46.17 -37.33 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.68 -36.49 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.52 -51.86 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -55.82 -53.2 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 6.4 pt-20 -50.42 -33.47 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 53.8 mt-10 -71.77 -49.93 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.81 -43.51 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.3 -53.14 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -61.62 -62.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -38.75 -32.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 44.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -108.91 -59.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -106.06 157.09 17.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -51.37 122.49 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -106.4 154.46 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -70.79 170.16 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -70.37 -174.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 12.6 mmtm -50.77 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -117.05 157.58 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.1 158.43 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -114.5 168.18 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t -148.36 156.84 43.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -104.86 177.75 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 70' ' ' LYS . 31.1 tt0 -145.97 153.24 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 69' ' ' GLN . 6.9 tmtm? -163.81 144.54 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 4.7 p90 -148.23 175.02 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.04 176.29 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.33 -66.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 130.74 -156.58 21.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.1 174.18 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -162.42 172.56 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.89 172.21 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -155.57 169.26 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.29 174.53 10.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -139.89 153.68 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -141.64 152.13 43.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -127.04 172.77 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 t -173.28 148.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.97 69.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.08 10.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 t -135.64 131.5 35.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m -92.33 -64.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 m -100.05 176.69 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -81.09 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.21 171.7 18.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -52.1 148.52 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -123.15 160.15 27.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.12 -108.99 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.35 48.5 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.46 147.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -171.01 168.4 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.49 155.54 27.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -106.41 136.08 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.87 138.12 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.46 117.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -109.27 80.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.64 46.16 0.26 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -119.77 97.4 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.25 69.19 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -1.0 7.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.312 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.42 92.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -105.17 -61.56 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -121.97 71.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -128.2 79.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.1 t -117.51 142.89 46.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.4 p -134.19 141.65 47.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.7 125.53 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -94.48 92.42 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -46.29 118.63 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD2' ' ND1' ' A' ' 30' ' ' HIS . 2.8 pptp? -84.25 31.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' ND1' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -128.57 -42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.03 -10.75 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 74.76 42.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -96.91 -175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 35' ' ' LEU . 25.2 mtmm -134.52 120.03 19.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 41' ' ' LEU . 7.5 mp -116.53 161.42 19.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -69.66 -60.48 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -149.08 176.24 10.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LEU . 31.8 m -46.24 -51.6 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.38 -39.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -80.96 -38.36 27.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -62.19 -46.06 90.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -50.16 -34.62 23.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -88.2 -44.3 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' HD21 ' A' ' 35' ' ' LEU . 70.6 t60 -55.52 -55.07 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.11 -49.59 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -40.9 -40.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 44' ' ' HIS . 32.2 mt -55.72 -52.01 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -48.82 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -51.79 -53.81 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -44.74 -42.78 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.39 -42.23 45.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -52.89 -49.08 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -42.18 -46.09 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -64.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.65 42.31 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -46.16 151.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -59.77 -45.5 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -87.64 125.26 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.01 -178.74 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -85.87 140.45 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.72 156.71 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' HE3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -149.2 158.99 44.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -99.38 142.45 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.8 135.9 54.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -109.61 143.7 38.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -117.21 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 145.28 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -133.41 -72.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -151.21 172.12 16.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -121.32 153.79 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.29 110.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -98.36 -47.04 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.59 174.2 32.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.72 144.05 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.07 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -128.06 149.65 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.2 147.09 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.21 89.66 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -168.83 172.34 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -174.78 160.66 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 74.1 mm-40 -153.76 124.76 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -84.91 42.37 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 t -100.54 139.11 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.75 -125.56 2.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.12 56.17 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m 57.85 44.3 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.8 p -102.83 100.61 10.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.467 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -136.25 139.86 43.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -154.06 168.0 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.85 -128.47 5.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -145.87 155.34 42.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -118.25 162.49 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.93 179.27 16.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' C ' ' HE2' ' A' ' 9' ' ' LYS . 17.6 mt -93.7 176.06 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' HE2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.24 161.69 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -150.17 166.93 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.41 170.51 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -101.9 157.12 17.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 tt -69.88 137.82 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.61 125.37 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.38 132.8 54.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 -171.99 22.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -79.7 84.33 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.19 136.12 7.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 98.25 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -65.9 -49.35 68.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.33 128.51 35.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.36 177.71 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -122.76 40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 t 41.75 40.82 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -57.43 168.88 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.8 m-85 -112.07 123.88 51.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.03 95.84 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.93 112.13 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.62 14.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 10.9 m80 -102.75 -51.28 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -119.51 4.94 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.26 42.22 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -101.78 -174.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' C ' HD12 ' A' ' 35' ' ' LEU . 5.0 mtmp? -135.5 132.17 36.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -124.3 156.85 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' ' CD ' ' A' ' 40' ' ' GLU . 4.9 pt20 -63.76 -41.06 98.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -174.6 173.21 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' LEU . 59.3 m -41.66 -50.93 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.71 -40.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' ' HG2' ' A' ' 36' ' ' GLN . 10.6 mt-10 -83.24 -36.56 24.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.0 tp -61.63 -45.37 94.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.1 m -48.8 -37.25 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.65 -37.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CB ' HD21 ' A' ' 35' ' ' LEU . 82.2 t60 -61.7 -61.83 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 mt -45.91 -47.87 16.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -40.24 -42.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -52.03 -48.46 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 22.0 m-70 -55.2 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -55.47 -62.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -43.22 -49.23 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -53.48 -43.97 68.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.61 -48.85 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -42.61 -59.13 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -56.15 -50.07 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' LYS . 70.6 mtm-85 -43.67 -42.67 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' ARG . . . -34.67 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.2 mmtt -89.27 77.07 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -81.09 -55.39 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 38.45 42.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' ARG . 5.7 mm-40 -91.83 176.51 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' GLU . 34.7 ttm-85 -34.34 -58.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 ttt180 -133.16 -66.38 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 62' ' ' ARG . 17.4 tptm 33.01 46.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -127.84 153.25 46.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.6 pp -148.02 134.11 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mt -127.08 157.57 39.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -65.94 169.91 6.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' HE2' ' N ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -89.33 -72.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -145.74 145.33 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -88.93 39.13 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -167.17 173.9 8.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.03 126.36 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.93 -48.97 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.51 131.8 4.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.95 138.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -84.45 176.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.84 128.17 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -87.21 167.25 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -144.81 143.71 30.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.81 146.71 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -154.7 117.14 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -119.57 -44.91 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -92.26 138.04 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.96 9.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.73 9.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -152.45 170.16 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -132.71 155.1 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.412 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p 38.38 42.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -49.07 162.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.95 -142.73 7.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -158.81 145.9 17.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.787 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -120.49 176.9 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.55 -150.16 7.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -160.94 125.14 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 0.0 110.943 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -143.33 166.73 23.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -117.74 176.25 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -135.7 164.41 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -116.39 153.61 31.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.425 ' C ' HG13 ' A' ' 14' ' ' ILE . 46.9 pt -123.96 165.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 13' ' ' ILE . 53.8 mt -144.9 109.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mp -143.42 114.85 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.55 166.52 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -153.14 156.87 39.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.84 126.81 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 151.84 68.93 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.43 40.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD12 ' OD1' ' A' ' 23' ' ' ASN . 4.6 mm? -108.12 117.01 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -111.91 41.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' OD1' HD12 ' A' ' 21' ' ' LEU . 16.7 m120 -88.42 161.84 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 m -65.33 108.54 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 p -125.46 156.34 39.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 -111.58 117.16 32.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -89.45 95.7 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.69 117.73 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.21 27.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -120.75 -44.04 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 33' ' ' SER . 14.0 p -123.28 -8.56 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 74.79 45.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -102.74 -174.15 2.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 35' ' ' LEU . 29.1 mtmm -134.44 123.71 24.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.4 mp -120.3 150.25 41.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -56.82 -61.07 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 3.4 t -154.04 177.83 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.7 m -42.65 -53.43 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.63 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.3 -38.92 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 35' ' ' LEU . 12.8 tp -61.7 -34.44 75.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.8 m -60.55 -34.13 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -89.33 -39.28 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.612 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.4 t60 -64.62 -46.91 80.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.03 -40.81 86.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -46.69 -37.22 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.36 -33.38 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -78.87 -64.14 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -39.02 -55.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -55.07 -39.62 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.85 -43.66 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -68.29 -35.93 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -72.16 -41.77 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.4 -54.55 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -72.43 -52.15 17.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 58.03 36.82 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.68 143.26 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -46.14 127.39 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.0 pm0 -77.69 179.01 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 68.77 44.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.13 160.31 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -64.48 82.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -155.74 112.12 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -143.22 132.4 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.29 111.62 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.0 tp -165.29 111.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -172.46 161.56 5.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.17 81.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -120.37 90.26 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -112.43 84.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -146.74 142.72 28.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.45 167.25 19.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -135.32 157.12 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 167.29 -65.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 71.99 40.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -113.4 160.79 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.58 147.94 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -161.29 169.78 21.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -168.2 144.35 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -87.99 147.64 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' GLU . 15.3 tp60 -120.13 -42.92 2.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' GLN . 12.2 pt-20 -34.51 136.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.4 p -141.56 178.02 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.89 124.62 2.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.69 6.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.03 164.92 17.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.5 p -112.8 167.12 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 p -79.83 171.08 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -152.06 168.69 24.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.29 174.58 35.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -169.89 169.28 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -138.75 165.23 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.557 ' C ' HD13 ' A' ' 8' ' ' LEU . . . 172.4 156.43 12.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.768 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -136.61 173.32 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.395 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 8' ' ' LEU . 3.2 mptt -151.57 166.09 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.07 137.01 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 47.4 m-20 -154.8 107.65 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 5.9 m-85 -158.1 141.38 15.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -145.27 106.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -121.77 115.37 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -106.37 126.57 52.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.488 ' N ' HD13 ' A' ' 15' ' ' LEU . . . -72.5 -152.29 1.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.436 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.77 167.46 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.59 -164.51 35.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -51.08 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 65.89 43.35 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.91 172.59 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -141.16 135.07 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -143.96 174.33 10.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -103.56 41.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -81.58 161.99 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -89.06 122.89 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -98.42 127.48 44.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -83.32 164.06 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -115.17 -9.9 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -89.88 -38.21 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -128.79 -10.22 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 65.16 42.0 4.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -89.13 -171.7 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -129.72 111.99 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 41' ' ' LEU . 10.5 mp -110.74 140.22 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -46.79 -56.98 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.529 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 1.8 t -161.33 179.38 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' GLU . 19.9 m -42.88 -53.59 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -33.11 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.1 mt-10 -89.34 -42.38 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -56.84 -43.68 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -52.93 -37.68 61.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -83.52 -46.0 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' HA ' HD12 ' A' ' 47' ' ' ILE . 86.3 t60 -57.77 -58.07 9.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.3 -50.58 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -42.57 -44.54 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 44' ' ' HIS . 29.6 mt -51.29 -37.97 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -73.85 -53.3 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.56 -51.5 62.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 6.4 pt-20 -51.1 -36.62 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 5.6 mm-40 -67.34 -41.93 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -55.18 -50.36 69.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 54' ' ' LYS . 35.5 mm-40 -58.73 -53.86 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' GLN . 7.2 mtpp -34.52 -40.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -82.28 -52.49 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 49.35 40.4 18.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -111.81 -53.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -44.37 -44.37 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -124.47 115.0 20.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -94.56 -58.98 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -93.33 144.24 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -155.02 149.32 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -164.2 117.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -150.75 107.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -113.45 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 65' ' ' LEU . 18.0 mt -119.95 94.41 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -59.96 156.01 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.72 155.67 35.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -98.32 151.65 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.02 159.1 10.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -147.66 156.65 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.86 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -160.28 172.28 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.23 13.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.37 176.93 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -135.03 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.07 159.16 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -160.06 161.49 33.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -153.97 112.9 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 7.6 pttm -114.32 -34.17 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 24.4 mp0 -49.43 149.5 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -145.88 160.37 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t -126.5 165.21 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -153.95 95.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.29 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -160.63 174.89 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -171.48 155.59 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.472 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -154.26 154.57 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -162.74 142.73 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.74 153.18 23.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -168.9 144.49 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -148.55 150.59 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.59 122.28 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -174.19 121.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 131.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.21 178.09 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -167.19 177.06 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -137.36 175.38 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.12 139.22 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -120.26 121.13 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.0 166.05 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.24 -139.11 2.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -138.44 138.74 38.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.54 -107.26 2.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 113.99 3.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -91.29 166.61 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.09 121.99 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.52 116.82 31.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -144.98 122.31 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.9 m -53.55 107.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 p -122.1 143.94 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -73.51 119.6 17.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -93.04 89.74 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 t -45.34 141.49 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 21.29 15.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -117.62 -35.57 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.1 -1.14 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.44 40.26 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -87.71 -174.93 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -136.08 111.45 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.8 mp -109.47 161.99 14.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.51 -67.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 p -138.84 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 m -49.69 -46.52 50.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.06 -34.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 35' ' ' LEU . 13.4 tp -63.85 -36.12 82.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -57.36 -34.52 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -90.56 -42.99 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.2 t60 -58.8 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.31 -47.41 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -41.06 -40.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.516 HG22 ' OE2' ' A' ' 51' ' ' GLU . 84.7 mt -49.33 -48.98 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.24 -45.52 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -53.76 -48.83 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.14 -45.99 89.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' OE2' HG22 ' A' ' 47' ' ' ILE . 41.2 mt-10 -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.16 -45.6 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -48.84 -50.51 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -59.34 -51.3 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -54.85 -31.59 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.17 70.69 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -109.64 -178.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -75.69 161.76 28.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -49.29 168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 62.26 54.41 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 21.0 ttp-105 -108.2 143.1 37.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -62.68 165.36 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -130.27 151.45 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 12.8 pt20 -79.14 172.84 13.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mp -104.41 164.3 11.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.35 141.64 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -87.94 178.78 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -106.21 178.89 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.43 177.74 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -97.77 -27.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 53.95 49.8 18.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -178.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -150.86 161.17 43.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.93 121.32 0.76 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.77 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -98.72 136.92 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.66 -62.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -174.94 163.79 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.69 112.35 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -171.26 150.99 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.1 150.5 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -145.75 169.69 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 p -142.37 175.63 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.22 145.4 10.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -98.93 170.2 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -70.81 -58.94 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.469 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 1' ' ' GLY . 26.2 p 35.03 41.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 p -121.95 176.24 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.49 -179.93 45.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -171.59 168.24 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -128.53 156.2 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.94 163.06 12.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.94 176.63 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.95 172.88 14.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -143.1 150.47 39.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.09 166.11 14.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -122.55 166.1 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -110.41 139.13 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.0 mp -102.71 84.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.8 pp -129.57 167.42 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' ASN . . . -174.61 136.28 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' GLY . 31.2 m-80 -34.29 -53.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . 34.86 66.99 0.29 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 134.7 28.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' C ' HD22 ' A' ' 21' ' ' LEU . 20.5 mmt180 -90.42 114.34 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 20' ' ' ARG . 4.3 mm? -130.96 160.0 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -79.58 124.86 28.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -139.88 138.73 35.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -93.28 84.95 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.11 149.62 24.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 2.6 m-85 -91.32 130.42 37.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -102.74 98.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.14 131.51 47.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.68 17.17 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -111.9 -50.32 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -118.15 -1.58 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.63 41.18 5.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.7 p -93.34 177.23 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 37.2 mtmt -128.69 119.55 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD22 HD12 ' A' ' 41' ' ' LEU . 5.4 mp -118.22 144.74 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.76 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 3.8 t -164.88 177.69 7.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' LEU . 28.8 m -41.54 -52.3 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.01 -38.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -82.85 -39.99 20.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 HD22 ' A' ' 35' ' ' LEU . 11.1 tp -59.9 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.4 m -45.91 -35.66 4.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -85.73 -44.6 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.458 ' CB ' HD21 ' A' ' 35' ' ' LEU . 74.8 t60 -60.46 -60.57 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -51.13 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -38.7 -40.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.6 -48.72 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -54.51 -44.69 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.87 -29.9 56.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -78.69 -34.09 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -74.16 -45.98 45.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -54.73 -39.17 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 5.0 ttmm -76.46 -42.31 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 56' ' ' ALA . 1.3 tmm_? -47.75 -43.34 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 55' ' ' ARG . . . -37.57 -44.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.11 42.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 37.6 45.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' OE2' ' A' ' 60' ' ' GLU . 15.3 tp60 -94.96 81.49 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' A' ' 59' ' ' GLN . 8.1 mp0 -134.7 131.43 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.6 tpt85 -112.63 -56.34 2.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -67.97 161.14 27.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -112.9 123.81 51.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -50.79 163.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.3 mt -143.5 171.68 13.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.6 mp -75.43 177.46 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -156.71 -178.76 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -108.64 163.15 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -124.41 153.97 41.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -126.35 -179.87 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -139.28 172.72 12.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.17 171.42 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -171.6 178.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 131.93 -151.74 19.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 74.73 54.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 111.078 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -102.36 139.22 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.15 155.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -174.85 137.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.73 -67.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER 75.0 50.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.462 ' CD ' ' O ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -164.88 145.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -174.87 123.09 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -90.37 -62.38 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.56 133.8 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -171.67 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -148.54 171.43 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 p -120.68 175.97 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.469 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 33' ' ' SER . 9.9 tp60 -87.95 90.04 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -48.31 149.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -107.27 30.79 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -130.04 -39.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.1 p -128.5 -3.91 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.73 46.28 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.8 t -95.75 -175.15 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -135.48 109.64 8.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 41' ' ' LEU . 8.2 mp -108.07 159.92 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.74 -57.69 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 29.8 m -154.54 177.82 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' LEU . 13.1 m -46.08 -52.87 11.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.8 -38.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -84.05 -38.53 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.581 HD12 HD22 ' A' ' 35' ' ' LEU . 12.3 tp -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -46.59 -38.37 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -85.56 -50.87 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.58 ' HA ' HD12 ' A' ' 47' ' ' ILE . 72.5 t60 -47.7 -47.64 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' HIS . 13.6 mt -54.54 -55.59 27.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m-80 -37.72 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 44' ' ' HIS . 30.1 mt -53.15 -46.11 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.9 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 32' ' ' ASP . 12.4 tp60 -90.94 92.51 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -45.86 121.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.65 16.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -111.95 -43.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.5 p -125.26 1.29 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.541 ' C ' ' NE2' ' A' ' 27' ' ' GLN . 14.0 m-20 64.5 33.67 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -83.61 -176.4 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.67 ' C ' HD12 ' A' ' 35' ' ' LEU . 42.7 mttp -132.07 125.19 30.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -123.78 161.07 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.52 -53.48 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -160.11 174.51 14.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -40.34 -53.38 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.04 -38.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 35' ' ' LEU . 61.3 mm-40 -80.55 -40.72 25.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.523 ' CD1' HD22 ' A' ' 35' ' ' LEU . 11.7 tp -59.78 -48.77 80.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.423 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 32.5 m -48.09 -33.64 8.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -90.45 -36.26 14.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CB ' HD21 ' A' ' 35' ' ' LEU . 71.0 t60 -66.55 -60.18 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.19 -44.5 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.0 m-80 -43.94 -41.69 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 78.4 mt -50.41 -37.45 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.828 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -85.81 104.28 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.49 108.5 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 12.82 2.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -100.6 -43.4 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.97 4.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.13 41.55 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 15.0 t -103.33 -174.47 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' C ' HD12 ' A' ' 35' ' ' LEU . 41.8 mttp -135.42 131.71 36.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.656 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -126.05 158.34 35.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.94 -53.16 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 12.2 m -161.97 174.34 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 38.8 m -41.49 -50.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.5 -38.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -83.61 -40.06 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 35' ' ' LEU . 11.6 tp -59.64 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 m -44.79 -37.46 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -85.51 -45.59 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.454 ' CB ' HD21 ' A' ' 35' ' ' LEU . 69.9 t60 -57.8 -61.0 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -41.22 -49.4 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -40.89 -45.94 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.8 mt -46.53 -45.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.359 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 35.6 tp60 -96.63 114.02 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -69.04 167.35 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -11.96 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -45.46 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.2 p -115.94 -18.68 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 11.8 t70 71.93 37.62 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -88.94 -176.03 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.594 ' C ' HD12 ' A' ' 35' ' ' LEU . 32.7 mttt -126.59 121.68 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.652 HD22 HD12 ' A' ' 41' ' ' LEU . 7.1 mp -120.47 149.05 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -52.96 -55.43 23.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.1 m -162.38 -177.87 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -45.38 -55.3 6.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.21 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' THR . 36.2 mm-40 -90.16 -38.18 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.652 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -63.58 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -59.28 -35.55 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -86.22 -44.02 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CB ' HD21 ' A' ' 35' ' ' LEU . 18.1 t60 -59.81 -44.16 94.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.82 -47.49 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -40.84 -39.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.0 mt -53.85 -45.74 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.836 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 102.1 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.0 158.41 2.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.27 6.04 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -105.96 -39.08 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -126.82 -6.97 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.0 46.48 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.08 -174.04 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -133.41 107.7 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 44' ' ' HIS . 7.8 mp -105.98 160.04 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -66.8 -59.51 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.7 m -152.69 175.85 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' LEU . 26.1 m -43.34 -53.79 5.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.11 -37.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -80.38 -39.04 29.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.0 tp -63.48 -40.03 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.8 m -53.53 -34.3 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -89.75 -37.27 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.475 ' CB ' HD21 ' A' ' 35' ' ' LEU . 84.3 t60 -61.4 -54.91 37.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -52.54 -40.35 62.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -51.62 -35.85 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.1 -26.39 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.826 0.346 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.99 105.69 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.37 118.45 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.97 11.2 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -104.51 -43.87 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.0 -11.39 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 74.71 44.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -95.47 -174.52 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.687 ' C ' HD12 ' A' ' 35' ' ' LEU . 28.2 mtmt -132.06 125.2 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.687 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.9 mp -123.87 149.43 45.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -56.29 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -155.78 177.12 11.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 85.5 m -46.58 -49.58 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.59 -37.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.45 -39.06 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.5 tp -61.74 -42.99 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.7 m -51.0 -30.87 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -94.45 -41.27 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CB ' HD21 ' A' ' 35' ' ' LEU . 55.8 t60 -58.49 -49.6 76.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -52.38 -44.07 65.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.68 -37.82 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.9 mt -53.01 -30.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.813 0.34 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 24.5 tp60 -84.68 99.3 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.67 119.11 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -82.51 16.1 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -108.78 -46.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.6 p -125.05 6.63 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.484 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.9 m-20 64.49 26.66 13.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -81.33 -174.53 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 35' ' ' LEU . 46.5 mttm -135.35 129.91 34.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.618 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.0 mp -123.98 160.5 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -61.61 -57.62 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 34.1 m -148.44 -178.12 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -35.43 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.62 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' C ' HD23 ' A' ' 35' ' ' LEU . 26.4 mt-10 -77.86 -33.2 52.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.7 tp -65.44 -42.33 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -51.28 -35.99 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.463 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 3.4 m -89.98 -46.36 8.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.618 ' CB ' HD21 ' A' ' 35' ' ' LEU . 78.5 t60 -50.88 -53.11 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.93 -48.02 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 84.2 m-20 -44.81 -45.72 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.68 -34.46 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.3 m-85 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.855 0.36 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.07 99.35 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.25 122.33 16.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.57 22.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -118.11 -38.55 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.57 -1.22 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.05 38.92 8.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -91.73 -174.56 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' C ' HD12 ' A' ' 35' ' ' LEU . 27.4 mtmm -135.03 125.43 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 44' ' ' HIS . 10.0 mp -125.48 159.91 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -62.78 -52.55 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 t -166.63 174.85 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' LEU . 90.2 m -38.17 -54.21 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.16 -44.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . 9.4 mm-40 -79.84 -37.66 34.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -60.93 -33.84 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -61.79 -34.09 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.1 t -88.37 -40.35 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.7 t60 -64.36 -45.85 85.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.21 -42.72 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -45.13 -40.26 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -53.65 -36.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.72 104.1 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.66 123.63 17.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 2.2 pptp? -87.1 35.17 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -132.61 -41.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.5 p -127.52 -2.04 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.56 47.92 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 t -97.68 -174.69 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.668 ' C ' HD12 ' A' ' 35' ' ' LEU . 36.3 mttp -134.78 127.19 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.2 mp -123.73 153.1 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.21 -57.12 14.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.9 m -152.32 174.36 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' LEU . 89.2 m -45.62 -49.97 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.34 -37.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' C ' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -81.43 -36.57 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 tp -65.29 -39.4 92.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 22.8 m -54.77 -32.07 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -94.37 -40.83 9.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CB ' HD21 ' A' ' 35' ' ' LEU . 76.4 t60 -59.29 -45.92 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.77 -44.95 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 42' ' ' THR . 20.2 m-80 -45.38 -39.44 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.8 mt -52.02 -36.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 3.9 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.84 0.352 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.9 109.63 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -62.67 161.76 11.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.29 -1.53 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -99.35 -37.78 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -127.54 -8.04 5.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.98 38.47 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -87.09 -174.86 5.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.709 ' C ' HD12 ' A' ' 35' ' ' LEU . 43.3 mttt -128.89 128.21 43.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.4 mp -125.81 160.31 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.48 -61.93 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 26.7 p -143.43 177.3 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -53.17 -40.93 64.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -47.11 -40.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -73.56 -35.94 65.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.2 tp -64.16 -42.28 96.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.2 m -50.94 -36.57 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -88.38 -44.46 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CB ' HD21 ' A' ' 35' ' ' LEU . 73.7 t60 -52.13 -45.07 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.19 -52.02 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -39.1 -42.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.83 -53.84 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.885 0.374 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 104.83 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.69 139.86 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.21 28.87 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -129.4 -40.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.98 -8.99 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 69.04 46.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -96.07 -175.0 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.616 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.3 mtmp? -133.15 123.86 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -121.55 160.89 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -65.21 -59.09 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.5 m -154.41 174.3 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 m -42.36 -49.83 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.35 -39.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.26 -40.64 30.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.2 tp -58.95 -46.08 88.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.4 m -51.26 -33.29 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -89.06 -37.86 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CB ' HD21 ' A' ' 35' ' ' LEU . 60.0 t60 -65.17 -59.95 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.09 -48.58 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -39.66 -40.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.1 mt -51.81 -50.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.4 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.811 0.339 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -87.65 118.55 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.78 160.34 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -9.54 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.67 -46.92 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.81 -12.6 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 67.44 42.05 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.6 t -90.38 -174.29 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.681 ' C ' HD12 ' A' ' 35' ' ' LEU . 23.9 mtmm -129.56 124.6 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -123.5 160.49 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -62.53 -59.67 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 49.6 m -152.71 176.39 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -46.94 -38.27 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -50.23 -39.51 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' C ' HD23 ' A' ' 35' ' ' LEU . 8.1 mm-40 -76.02 -39.17 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.7 tp -60.88 -40.66 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -53.25 -36.05 60.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.412 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 39.6 m -87.86 -42.86 12.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.487 ' CB ' HD21 ' A' ' 35' ' ' LEU . 49.7 t60 -59.26 -56.3 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.9 mt -45.6 -48.32 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 92.3 m-20 -39.65 -41.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mt -51.62 -48.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.811 0.338 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.07 104.6 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -63.39 126.92 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 18.96 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 6.2 m80 -112.65 -37.95 4.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -133.11 -0.41 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.41 43.02 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 t -93.75 -174.86 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 35' ' ' LEU . 17.6 mtmm -134.46 124.6 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -121.57 160.7 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -67.4 -64.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 11.2 p -141.92 177.77 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 m -50.31 -47.74 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.2 -39.48 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -76.25 -37.06 58.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 35' ' ' LEU . 13.8 tp -66.53 -35.05 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -58.17 -29.67 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 m -94.13 -41.04 9.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CB ' HD21 ' A' ' 35' ' ' LEU . 64.9 t60 -62.48 -44.6 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -56.61 -45.03 81.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.09 -43.85 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -48.04 -38.61 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 35.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.5 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.886 0.374 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -123.48 103.05 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.76 123.13 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -90.92 32.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -128.74 -40.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -125.22 -9.85 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.42 46.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -103.31 -174.56 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 52.7 mttm -132.62 129.54 39.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.5 mp -125.84 161.87 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.47 -47.39 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m -173.67 -177.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -41.01 -61.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -31.68 -36.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 30.9 mm-40 -86.46 -43.06 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 10.8 tp -60.43 -51.03 71.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 97.7 m -46.15 -38.17 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -82.68 -53.03 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.473 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.7 t60 -49.39 -36.2 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.03 -44.47 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.6 m120 -46.17 -37.33 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.68 -36.49 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -94.48 92.42 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -46.29 118.63 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD2' ' ND1' ' A' ' 30' ' ' HIS . 2.8 pptp? -84.25 31.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' ND1' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -128.57 -42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.03 -10.75 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 74.76 42.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -96.91 -175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 35' ' ' LEU . 25.2 mtmm -134.52 120.03 19.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 41' ' ' LEU . 7.5 mp -116.53 161.42 19.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -69.66 -60.48 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -149.08 176.24 10.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LEU . 31.8 m -46.24 -51.6 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.38 -39.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -80.96 -38.36 27.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -62.19 -46.06 90.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -50.16 -34.62 23.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -88.2 -44.3 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' HD21 ' A' ' 35' ' ' LEU . 70.6 t60 -55.52 -55.07 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.11 -49.59 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -40.9 -40.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 44' ' ' HIS . 32.2 mt -55.72 -52.01 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.8 m-85 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -85.03 95.84 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.93 112.13 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.62 14.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 10.9 m80 -102.75 -51.28 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -119.51 4.94 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.26 42.22 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 10.4 t -101.78 -174.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' C ' HD12 ' A' ' 35' ' ' LEU . 5.0 mtmp? -135.5 132.17 36.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -124.3 156.85 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' ' CD ' ' A' ' 40' ' ' GLU . 4.9 pt20 -63.76 -41.06 98.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -174.6 173.21 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' LEU . 59.3 m -41.66 -50.93 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.71 -40.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' ' HG2' ' A' ' 36' ' ' GLN . 10.6 mt-10 -83.24 -36.56 24.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.0 tp -61.63 -45.37 94.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.1 m -48.8 -37.25 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.65 -37.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CB ' HD21 ' A' ' 35' ' ' LEU . 82.2 t60 -61.7 -61.83 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 mt -45.91 -47.87 16.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -40.24 -42.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -52.03 -48.46 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 22.0 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -89.45 95.7 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.69 117.73 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.21 27.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -120.75 -44.04 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 33' ' ' SER . 14.0 p -123.28 -8.56 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 74.79 45.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -102.74 -174.15 2.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 35' ' ' LEU . 29.1 mtmm -134.44 123.71 24.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.4 mp -120.3 150.25 41.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -56.82 -61.07 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 3.4 t -154.04 177.83 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.7 m -42.65 -53.43 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.63 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.3 -38.92 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 35' ' ' LEU . 12.8 tp -61.7 -34.44 75.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.8 m -60.55 -34.13 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -89.33 -39.28 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.612 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.4 t60 -64.62 -46.91 80.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.03 -40.81 86.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -46.69 -37.22 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.36 -33.38 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -98.42 127.48 44.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -83.32 164.06 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -115.17 -9.9 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -89.88 -38.21 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -128.79 -10.22 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 65.16 42.0 4.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -89.13 -171.7 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -129.72 111.99 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 41' ' ' LEU . 10.5 mp -110.74 140.22 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -46.79 -56.98 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.529 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 1.8 t -161.33 179.38 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' GLU . 19.9 m -42.88 -53.59 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -33.11 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.1 mt-10 -89.34 -42.38 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -56.84 -43.68 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -52.93 -37.68 61.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -83.52 -46.0 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' HA ' HD12 ' A' ' 47' ' ' ILE . 86.3 t60 -57.77 -58.07 9.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.3 -50.58 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -42.57 -44.54 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 44' ' ' HIS . 29.6 mt -51.29 -37.97 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -93.04 89.74 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 t -45.34 141.49 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 21.29 15.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -117.62 -35.57 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.1 -1.14 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.44 40.26 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -87.71 -174.93 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -136.08 111.45 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.8 mp -109.47 161.99 14.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.51 -67.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 p -138.84 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 m -49.69 -46.52 50.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.06 -34.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 35' ' ' LEU . 13.4 tp -63.85 -36.12 82.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -57.36 -34.52 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.403 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 69.4 m -90.56 -42.99 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.2 t60 -58.8 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.31 -47.41 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 92.0 m-20 -41.06 -40.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.7 mt -49.33 -48.98 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 2.6 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.851 0.357 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -102.74 98.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.14 131.51 47.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.68 17.17 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -111.9 -50.32 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -118.15 -1.58 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.63 41.18 5.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.7 p -93.34 177.23 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 37.2 mtmt -128.69 119.55 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD22 HD12 ' A' ' 41' ' ' LEU . 5.4 mp -118.22 144.74 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.76 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 3.8 t -164.88 177.69 7.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' LEU . 28.8 m -41.54 -52.3 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.01 -38.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -82.85 -39.99 20.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 HD22 ' A' ' 35' ' ' LEU . 11.1 tp -59.9 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.4 m -45.91 -35.66 4.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -85.73 -44.6 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.458 ' CB ' HD21 ' A' ' 35' ' ' LEU . 74.8 t60 -60.46 -60.57 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -51.13 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -38.7 -40.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.6 -48.72 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 t 45.24 42.08 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.7 p -143.5 175.21 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.81 75.28 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -144.03 164.51 30.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -141.51 166.74 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.23 53.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.7 tp -134.47 97.45 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -174.52 114.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -140.45 176.51 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -128.55 169.95 13.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.481 ' O ' HD13 ' A' ' 13' ' ' ILE . 10.3 p90 -113.19 168.94 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' PHE . 17.5 mm -144.66 126.53 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.0 mm -135.79 105.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 tp -171.6 139.19 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.16 87.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 1.8 p-10 -101.08 -67.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.663 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 60.72 147.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 2.39 3.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.549 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.83 174.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 21' ' ' LEU . 1.7 mp -140.09 148.89 42.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -63.55 145.79 54.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.77 107.05 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.0 m 38.52 43.71 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 p -95.37 155.34 16.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -105.44 112.86 26.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 33' ' ' SER . 9.9 tp60 -87.95 90.04 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -48.31 149.2 1.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' CD ' ' H ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -107.27 30.79 5.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -130.04 -39.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.1 p -128.5 -3.91 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.73 46.28 3.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.421 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 9.8 t -95.75 -175.15 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -135.48 109.64 8.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 41' ' ' LEU . 8.2 mp -108.07 159.92 16.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.74 -57.69 7.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.581 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 29.8 m -154.54 177.82 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' LEU . 13.1 m -46.08 -52.87 11.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.8 -38.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.046 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -84.05 -38.53 20.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD12 HD22 ' A' ' 35' ' ' LEU . 12.3 tp -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.0 m -46.59 -38.37 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -85.56 -50.87 6.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.58 ' HA ' HD12 ' A' ' 47' ' ' ILE . 72.5 t60 -47.7 -47.64 29.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 48' ' ' HIS . 13.6 mt -54.54 -55.59 27.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' LEU . 3.0 m-80 -37.72 -40.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 44' ' ' HIS . 30.1 mt -53.15 -46.11 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.9 m-70 -53.15 -48.49 67.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -50.27 -54.94 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -60.22 -47.19 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -59.34 -33.28 70.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -73.89 -41.69 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -50.64 -48.11 58.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 4.2 tmtm? -80.51 -53.96 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' LYS . 33.5 tpt85 -49.14 -33.69 12.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.89 79.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -98.6 -176.37 3.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ptp85 -79.02 45.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.74 169.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.93 -60.64 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -87.58 120.66 29.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -133.9 99.56 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -147.57 168.62 21.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -147.18 134.26 20.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.781 ' H ' HD23 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -67.78 163.51 21.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mt -106.11 163.13 13.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 t -124.97 86.03 2.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -42.73 145.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -147.84 129.35 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -106.03 170.97 7.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -162.39 162.61 27.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.85 149.86 24.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -95.64 -50.05 5.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.52 125.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.511 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.62 -59.43 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 111.097 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -65.66 126.05 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.3 100.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -168.79 150.27 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -142.04 116.17 9.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -137.98 144.63 41.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.76 -52.2 14.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' SER . 0.0 OUTLIER 40.45 45.9 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLU . 54.0 p -34.6 123.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.57 -169.88 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 138.34 37.44 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.306 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 88.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.3 p -37.64 -43.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.456 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -159.51 145.61 16.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -171.33 145.19 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 -105.87 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 53.86 50.65 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -93.35 159.28 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.86 162.05 29.54 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.88 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -174.59 142.15 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' N ' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -164.41 125.66 2.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -141.46 177.08 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -137.93 169.94 16.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -130.74 170.06 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' C ' HG13 ' A' ' 14' ' ' ILE . 2.8 pp -124.97 169.85 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.744 ' C ' HD22 ' A' ' 15' ' ' LEU . 86.0 mt -150.0 146.99 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 14' ' ' ILE . 2.9 mm? -124.31 156.71 36.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.21 162.02 29.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -138.39 146.28 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.8 151.35 22.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.82 26.29 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.734 2.289 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -136.87 158.59 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 tp -51.82 132.43 31.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -87.84 165.77 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -116.72 143.14 46.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 p -84.45 43.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 p -57.59 136.05 56.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -79.21 121.16 24.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' NE2' ' C ' ' A' ' 32' ' ' ASP . 12.4 tp60 -90.94 92.51 8.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -45.86 121.95 3.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.65 16.5 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -111.95 -43.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.5 p -125.26 1.29 7.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.541 ' C ' ' NE2' ' A' ' 27' ' ' GLN . 14.0 m-20 64.5 33.67 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -83.61 -176.4 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.67 ' C ' HD12 ' A' ' 35' ' ' LEU . 42.7 mttp -132.07 125.19 30.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -123.78 161.07 25.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.52 -53.48 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -160.11 174.51 14.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -40.34 -53.38 2.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.04 -38.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' C ' HD23 ' A' ' 35' ' ' LEU . 61.3 mm-40 -80.55 -40.72 25.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.523 ' CD1' HD22 ' A' ' 35' ' ' LEU . 11.7 tp -59.78 -48.77 80.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.423 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 32.5 m -48.09 -33.64 8.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -90.45 -36.26 14.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.524 ' CB ' HD21 ' A' ' 35' ' ' LEU . 71.0 t60 -66.55 -60.18 2.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -41.19 -44.5 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.0 m-80 -43.94 -41.69 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 78.4 mt -50.41 -37.45 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -74.78 -58.53 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -44.66 -48.75 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 8.3 pt-20 -61.26 -36.13 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -71.83 -40.0 69.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -46.93 -44.44 19.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -58.42 -56.0 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.72 -44.58 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ALA . 9.1 tpp180 -38.94 -54.7 1.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 57' ' ' LYS . . . -35.02 -43.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -35.56 135.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -125.23 169.43 12.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -169.96 126.58 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -109.4 69.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -129.01 92.82 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -103.39 130.03 50.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 64' ' ' GLN . 6.9 tmtm? -132.32 146.53 52.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.44 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 27.5 mm-40 -58.99 175.47 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 mt -119.7 168.26 11.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 66' ' ' LEU . 1.4 pt? -142.0 150.69 41.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.3 m -167.18 151.54 6.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -173.27 139.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -156.37 158.48 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -139.97 174.64 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -150.67 171.86 16.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.08 168.36 23.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -173.88 162.78 4.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.45 122.07 1.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.36 164.98 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -171.92 164.65 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.15 174.16 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -159.54 162.47 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.15 177.79 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -113.83 177.89 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -122.63 173.06 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.4 m -94.33 171.35 8.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -88.25 140.1 16.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.15 15.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -65.58 -57.37 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' GLY . 23.2 t 64.54 43.84 4.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.449 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -63.19 112.64 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -164.63 145.67 7.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.78 -113.49 1.99 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t 63.77 43.73 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -107.59 145.99 32.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 -175.08 19.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.97 123.69 12.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.898 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.57 ' N ' HD13 ' A' ' 8' ' ' LEU . 17.5 mtmt -105.16 171.82 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -145.65 120.34 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.408 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 15.7 m-20 -111.24 105.21 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 13.4 m-85 -151.37 109.67 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' ILE . 9.7 tp -118.16 -14.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.068 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.586 ' O ' HG22 ' A' ' 14' ' ' ILE . 4.8 mp 37.54 54.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 15' ' ' LEU . 2.4 pp -78.86 136.56 37.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -172.08 100.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -99.74 159.18 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.41 169.34 40.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.27 69.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -121.95 110.88 16.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mp 56.03 41.78 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 4.0 pm0 -43.81 -41.03 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' N ' ' HG2' ' A' ' 22' ' ' GLN . 75.9 m-20 -132.92 156.47 47.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -67.55 132.67 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 p -120.06 132.19 55.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 -88.69 114.62 25.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.1 OUTLIER -85.81 104.28 15.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.49 108.5 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 12.82 2.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -100.6 -43.4 6.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -126.97 4.73 6.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.13 41.55 6.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 15.0 t -103.33 -174.47 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' C ' HD12 ' A' ' 35' ' ' LEU . 41.8 mttp -135.42 131.71 36.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.656 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -126.05 158.34 35.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -64.94 -53.16 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 12.2 m -161.97 174.34 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 38.8 m -41.49 -50.42 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.5 -38.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -83.61 -40.06 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD12 HD22 ' A' ' 35' ' ' LEU . 11.6 tp -59.64 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.6 m -44.79 -37.46 3.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -85.51 -45.59 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.454 ' CB ' HD21 ' A' ' 35' ' ' LEU . 69.9 t60 -57.8 -61.0 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -41.22 -49.4 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -40.89 -45.94 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.8 mt -46.53 -45.31 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -60.33 -55.95 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -41.38 -57.24 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -56.03 -46.64 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -58.87 -37.7 77.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.85 -50.07 74.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -63.39 -50.77 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -57.32 -43.22 83.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -66.62 -60.97 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 41.43 42.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -102.62 41.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -49.41 125.85 11.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -78.91 158.93 27.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -75.19 88.31 2.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.68 152.04 24.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -41.52 132.84 2.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -59.11 170.21 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -97.44 122.63 40.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.756 ' H ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -60.42 147.65 40.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 67' ' ' SER . 4.4 pp -161.03 178.42 9.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.667 ' O ' HD12 ' A' ' 66' ' ' LEU . 22.9 t -35.64 146.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -70.23 136.45 49.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -170.24 139.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.1 152.78 24.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.67 -61.52 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -174.05 174.58 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.094 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -151.88 165.57 34.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.77 169.41 42.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.11 176.91 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -159.98 165.47 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.87 164.24 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -172.74 162.39 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -123.61 178.03 5.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -112.22 -60.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -173.86 -179.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -138.99 157.09 46.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -155.29 166.78 32.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -157.57 117.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.66 9.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.244 . . . . 0.0 112.33 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m -155.92 151.99 27.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.9 m -156.44 178.46 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.487 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.71 145.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -171.2 174.81 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.29 166.85 25.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -150.43 162.2 41.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 p -89.57 169.88 10.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.02 133.0 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.76 111.54 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.65 175.55 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -81.02 79.01 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -153.88 106.12 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -174.42 110.87 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -76.4 132.31 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.1 mm -106.8 112.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 15' ' ' LEU . 2.3 pt? -97.98 155.12 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.66 53.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -157.16 133.18 9.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.82 -178.79 3.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 153.8 68.74 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' LEU . 10.5 ptt180 -69.43 177.82 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' ARG . 1.0 OUTLIER -35.68 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.952 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -101.19 -60.21 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.47 127.09 55.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 m -92.04 80.42 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 34' ' ' LYS . 1.2 m -107.89 147.45 30.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.7 m-85 -89.24 117.79 28.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 35.6 tp60 -96.63 114.02 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.4 t -69.04 167.35 16.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.12 -11.96 11.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.46 -45.46 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.2 p -115.94 -18.68 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 11.8 t70 71.93 37.62 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -88.94 -176.03 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.836 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.594 ' C ' HD12 ' A' ' 35' ' ' LEU . 32.7 mttt -126.59 121.68 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.652 HD22 HD12 ' A' ' 41' ' ' LEU . 7.1 mp -120.47 149.05 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -52.96 -55.43 23.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.556 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.1 m -162.38 -177.87 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' LEU . 20.5 m -45.38 -55.3 6.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.21 -31.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' THR . 36.2 mm-40 -90.16 -38.18 13.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.652 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -63.58 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 39.8 m -59.28 -35.55 73.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -86.22 -44.02 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.545 ' CB ' HD21 ' A' ' 35' ' ' LEU . 18.1 t60 -59.81 -44.16 94.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -55.82 -47.49 77.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -40.84 -39.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.0 mt -53.85 -45.74 63.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -57.62 -49.66 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 -50.92 -61.08 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -41.54 -49.71 4.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.74 -40.95 88.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -50.24 -44.95 53.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.09 -41.49 68.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -63.76 -35.1 79.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -71.18 -42.25 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 36.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -97.92 -59.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -66.75 -55.98 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -132.04 117.46 18.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -80.28 -49.84 11.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.03 -179.91 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.573 ' O ' HD22 ' A' ' 65' ' ' LEU . 19.9 ttm180 -84.38 32.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 64' ' ' GLN . 6.5 tmtt? -39.9 155.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 51.0 mt-30 68.59 53.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.844 ' H ' HD23 ' A' ' 65' ' ' LEU . 1.3 pt? -120.34 118.68 31.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.658 ' H ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -86.19 12.17 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.9 p -67.95 109.81 3.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.7 tttp -148.79 151.23 34.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -116.26 170.54 8.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -116.65 168.25 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -134.51 156.3 48.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.57 168.52 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -107.02 -62.7 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.94 155.65 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 76' ' ' PHE . . . -167.42 160.58 13.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 111.073 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 33.3 m-85 -162.27 170.87 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.57 155.55 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -161.22 168.14 24.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.38 -178.51 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -159.55 156.31 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -175.19 132.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -146.48 156.06 43.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m -161.69 159.53 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -178.16 124.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -176.94 1.66 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.353 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 p -165.9 134.02 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.2 m -95.52 -61.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.496 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m -108.26 175.74 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 t -173.88 151.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.51 140.33 14.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -128.34 46.46 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -87.01 159.66 18.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.36 100.79 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 2.1 tp -133.5 102.18 5.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HE2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -114.3 110.72 20.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -121.25 107.06 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 2.6 p-10 -163.27 105.53 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 11' ' ' ASP . 0.5 OUTLIER -168.78 175.61 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.6 mm -100.65 132.52 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.4 mp -83.7 133.99 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 15' ' ' LEU . 2.5 pt? -83.15 170.55 14.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.92 -51.26 8.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -38.52 152.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.75 -163.06 25.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 81.52 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.394 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -144.75 135.8 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 21' ' ' LEU . 4.0 mm? -61.61 139.46 58.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -102.62 81.56 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.75 138.42 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 t -126.41 139.63 53.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.7 p -113.38 127.66 56.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -78.74 116.52 19.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 102.1 14.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.0 158.41 2.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.27 6.04 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -105.96 -39.08 6.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.9 p -126.82 -6.97 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 65.0 46.48 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -92.08 -174.04 3.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -133.41 107.7 8.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 44' ' ' HIS . 7.8 mp -105.98 160.04 15.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -66.8 -59.51 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.7 m -152.69 175.85 12.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' LEU . 26.1 m -43.34 -53.79 5.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.11 -37.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -80.38 -39.04 29.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.0 tp -63.48 -40.03 96.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.8 m -53.53 -34.3 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.2 t -89.75 -37.27 14.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.475 ' CB ' HD21 ' A' ' 35' ' ' LEU . 84.3 t60 -61.4 -54.91 37.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' O ' ' ND2' ' A' ' 49' ' ' ASN . 24.5 mt -52.54 -40.35 62.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -51.62 -35.85 43.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.1 -26.39 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ASN . 16.5 m-70 -76.41 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -36.51 -62.7 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 21.7 pt-20 -33.97 -44.67 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 7.7 mm-40 -70.48 -47.9 58.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 49' ' ' ASN . 7.1 t80 -49.95 -44.9 50.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -69.33 -45.16 70.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -55.23 -52.91 61.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -67.48 -53.3 29.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' LYS . . . 41.49 42.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.3 tmtt? -35.35 116.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 57' ' ' LYS . 23.0 mmm180 -34.39 130.33 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -157.34 168.25 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 pm0 -85.16 80.17 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.95 155.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -50.9 126.44 16.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -155.51 130.99 9.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 64' ' ' GLN . 2.1 pm0 -64.84 110.61 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 65' ' ' LEU . 2.4 mm? -41.15 112.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.579 ' H ' HD23 ' A' ' 66' ' ' LEU . 1.1 pt? -59.19 168.4 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.4 p -127.97 141.8 51.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -112.41 136.92 51.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 4.4 tp-100 -140.02 158.21 44.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 9.5 ptpp? -137.11 141.22 42.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -119.9 115.06 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 129.27 29.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -114.68 154.23 28.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.0 -127.42 0.94 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.37 147.91 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 111.063 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -78.53 156.94 28.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -46.55 116.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.34 155.35 18.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -159.41 171.3 20.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.6 154.27 39.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -103.43 173.09 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 39.21 43.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.4 p -51.48 157.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.05 167.15 9.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.525 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -179.67 3.08 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 m -108.13 165.08 11.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.5 p -124.18 -49.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -109.26 101.74 10.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -140.82 153.35 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.74 -135.81 8.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t 65.79 42.73 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -128.38 113.17 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.53 159.17 23.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -151.13 107.82 3.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.902 0.382 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -147.51 115.46 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -170.9 108.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -105.32 169.56 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' HD12 ' A' ' 14' ' ' ILE . 7.7 p90 -134.06 176.42 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 pt -83.36 110.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 12' ' ' PHE . 5.2 mp -99.67 91.51 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 ' OD1' ' A' ' 17' ' ' ASN . 7.6 tt -121.85 -45.13 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 48.54 74.38 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.464 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.6 ' OD1' HD22 ' A' ' 15' ' ' LEU . 2.9 m120 -42.95 161.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.68 -167.96 12.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 90.7 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.24 . . . . 0.0 112.36 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -109.48 148.59 30.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 21' ' ' LEU . 4.7 mp -97.74 146.2 25.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -141.75 166.82 23.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -44.35 138.0 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t -51.29 136.42 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.6 p -133.99 163.89 28.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -111.52 123.89 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.99 105.69 18.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.2 t -63.37 118.45 8.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.97 11.2 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -104.51 -43.87 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 p -126.0 -11.39 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 74.71 44.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -95.47 -174.52 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.687 ' C ' HD12 ' A' ' 35' ' ' LEU . 28.2 mtmt -132.06 125.2 30.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.687 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.9 mp -123.87 149.43 45.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -56.29 -56.04 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -155.78 177.12 11.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LEU . 85.5 m -46.58 -49.58 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.59 -37.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.45 -39.06 23.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.5 tp -61.74 -42.99 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.7 m -51.0 -30.87 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 t -94.45 -41.27 9.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CB ' HD21 ' A' ' 35' ' ' LEU . 55.8 t60 -58.49 -49.6 76.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -52.38 -44.07 65.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.68 -37.82 19.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.9 mt -53.01 -30.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -81.29 -55.3 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -46.13 -54.3 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' OE2' ' CG ' ' A' ' 51' ' ' GLU . 2.4 pp20? -52.53 -38.51 59.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' CG ' ' OE2' ' A' ' 50' ' ' GLU . 15.9 mt-10 -67.93 -42.72 80.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -44.76 -50.45 10.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -62.19 -46.72 87.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -66.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 mtm180 -48.47 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.6 40.72 12.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' ARG . 16.7 tptm -108.43 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' LYS . 18.8 ttm180 -34.36 148.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 60' ' ' GLU . 8.5 pt20 -82.7 40.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 59' ' ' GLN . 24.4 mt-10 34.37 52.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -118.21 125.87 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -88.88 101.12 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -71.01 -45.36 64.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -82.75 149.82 27.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -108.38 149.94 28.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.3 mt -140.52 115.53 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 t -122.76 133.58 54.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -170.12 135.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.77 133.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -174.74 129.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -156.13 124.72 5.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -174.1 161.56 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -168.51 145.65 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.49 99.59 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.63 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.348 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -158.78 146.24 17.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 78' ' ' ASP . . . -129.67 -57.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 77' ' ' ALA . 5.7 m-20 -174.96 171.43 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -160.84 147.61 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.55 151.45 38.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -139.64 175.96 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -94.51 157.55 15.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.3 p -109.97 160.02 16.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.85 155.46 26.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.79 3.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.284 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -121.61 85.25 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -155.21 163.93 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.482 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 t -43.14 110.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -143.18 168.29 20.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.21 158.3 21.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -169.85 146.7 3.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -104.23 125.4 50.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.71 89.8 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 9' ' ' LYS . 8.7 tp -98.96 151.73 20.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.367 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 6.9 pttm -73.5 78.55 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 2.5 tmm_? -111.37 99.53 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -160.7 177.02 10.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -146.98 144.84 29.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 pt -115.51 118.1 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.7 mm -119.26 102.55 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -88.26 93.55 9.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -106.73 74.2 0.22 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -173.34 149.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.21 -146.99 16.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.492 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -126.43 -60.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.18 116.57 3.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -110.16 103.31 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -90.09 173.52 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 t -114.55 97.71 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.64 145.83 39.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -93.14 114.05 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 32' ' ' ASP . 24.5 tp60 -84.68 99.3 10.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.5 t -52.67 119.11 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -82.51 16.1 2.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -108.78 -46.15 3.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.6 p -125.05 6.63 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.484 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 4.9 m-20 64.49 26.66 13.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -81.33 -174.53 4.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 35' ' ' LEU . 46.5 mttm -135.35 129.91 34.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.618 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.0 mp -123.98 160.5 27.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -61.61 -57.62 11.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 34.1 m -148.44 -178.12 6.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.12 -35.43 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.44 -38.62 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' C ' HD23 ' A' ' 35' ' ' LEU . 26.4 mt-10 -77.86 -33.2 52.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.7 tp -65.44 -42.33 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.7 m -51.28 -35.99 40.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.463 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 3.4 m -89.98 -46.36 8.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.618 ' CB ' HD21 ' A' ' 35' ' ' LEU . 78.5 t60 -50.88 -53.11 35.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.93 -48.02 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 84.2 m-20 -44.81 -45.72 10.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.68 -34.46 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -71.92 -49.11 40.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.43 -53.68 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.9 pt-20 -52.71 -41.67 64.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 5.7 mm-40 -71.03 -45.42 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -58.71 -48.11 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 3.9 tp60 -41.39 -50.58 3.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' LYS . 18.9 tptt -54.21 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -39.83 -31.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.05 29.49 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -50.59 -46.92 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -54.67 178.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -53.74 114.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -53.06 169.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' HD3' ' A' ' 61' ' ' ARG . 1.9 mpp_? -100.97 160.9 13.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -116.79 41.67 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -124.51 32.38 5.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -133.46 -44.57 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.63 -32.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mp -40.17 101.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 m -142.14 135.96 29.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -144.21 177.25 8.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -158.5 151.63 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -150.43 154.13 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.05 173.92 11.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 73' ' ' ASP . . . -154.24 147.26 24.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 72' ' ' ALA . 8.8 m-20 -162.27 163.68 27.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.51 -171.9 24.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.24 162.84 28.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CG ' ' N ' ' A' ' 77' ' ' ALA . 34.3 t80 -89.45 167.1 13.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 76' ' ' PHE . . . -108.9 134.49 51.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -121.63 -28.65 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.98 96.54 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 81' ' ' GLN . 30.3 tttp -90.72 156.02 18.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' N ' ' HG2' ' A' ' 80' ' ' LYS . 39.8 mt-30 -89.76 86.29 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.17 173.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.5 m -95.95 151.22 19.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.43 -76.11 0.79 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 172.3 12.87 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 m -52.78 -55.78 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.0 p -69.61 116.97 10.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.495 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -69.52 175.48 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -118.01 42.11 2.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.99 -168.92 54.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -158.03 154.65 27.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -86.68 170.98 11.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.85 99.72 0.59 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.9 mt -128.87 -62.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -108.33 167.16 10.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -119.48 86.63 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.458 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 7.9 m-20 -98.99 102.08 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 3.3 m-85 -152.11 168.15 26.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' C ' HG13 ' A' ' 14' ' ' ILE . 3.2 tp -174.46 118.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 15' ' ' LEU . 7.6 mt -139.47 161.49 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 14' ' ' ILE . 5.0 mp 64.12 47.08 3.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.35 41.17 1.53 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -161.89 174.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.02 95.76 2.13 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 85.64 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -65.34 -46.55 79.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 22' ' ' GLN . 1.9 pt? -174.44 138.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 21' ' ' LEU . 15.0 mp0 -146.15 115.71 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.64 139.94 57.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.2 p -71.64 139.42 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.7 p -110.54 141.41 43.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.479 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.3 m-85 -94.52 114.03 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.07 99.35 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.25 122.33 16.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.57 22.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -118.11 -38.55 3.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.3 p -132.57 -1.22 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.05 38.92 8.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -91.73 -174.56 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' C ' HD12 ' A' ' 35' ' ' LEU . 27.4 mtmm -135.03 125.43 26.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 44' ' ' HIS . 10.0 mp -125.48 159.91 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -62.78 -52.55 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.479 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 t -166.63 174.85 8.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' LEU . 90.2 m -38.17 -54.21 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.16 -44.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' C ' HD23 ' A' ' 35' ' ' LEU . 9.4 mm-40 -79.84 -37.66 34.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -60.93 -33.84 73.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -61.79 -34.09 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.1 t -88.37 -40.35 13.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.7 t60 -64.36 -45.85 85.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.21 -42.72 73.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -45.13 -40.26 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.6 mt -53.65 -36.46 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -71.35 -45.29 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -62.92 -48.51 78.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.3 pt-20 -59.63 -39.0 82.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 48.6 mm-40 -73.67 -40.86 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -48.08 -45.12 32.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -40.79 -50.84 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.7 tptp -70.73 -41.77 71.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -42.31 -33.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.32 83.83 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -52.45 146.52 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -127.01 -44.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -111.17 177.79 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -74.26 166.19 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 23.4 ttp180 -145.4 154.98 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 52.5 ttp85 -113.54 152.42 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -133.83 171.54 14.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -59.29 -179.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -114.49 -60.16 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -39.62 139.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 m -159.98 177.23 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -129.9 176.03 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -146.8 164.24 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ptmm? -128.6 172.6 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -131.36 177.76 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -131.56 176.26 8.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -159.24 178.8 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 173.75 158.95 19.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.519 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.79 174.15 13.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -162.6 170.23 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.68 174.56 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.04 159.79 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -136.62 177.68 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.28 154.1 44.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.91 176.84 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -151.5 130.97 12.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -171.16 163.89 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -177.47 88.3 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.89 4.13 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.627 2.218 . . . . 0.0 112.363 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.3 p -138.62 149.41 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -164.53 163.2 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.484 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -55.92 125.34 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -147.76 158.64 44.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.86 -45.94 2.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 54.21 42.21 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -112.01 113.89 26.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.86 -171.02 41.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -93.35 117.68 30.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.87 0.367 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' N ' HD13 ' A' ' 8' ' ' LEU . 1.8 mppt? -74.23 121.33 21.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.54 128.48 9.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -87.71 145.83 25.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -39.89 110.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -90.32 141.03 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -83.98 103.52 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' H ' HD23 ' A' ' 15' ' ' LEU . 2.6 pt? -139.11 135.29 33.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.1 59.11 0.65 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.446 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -129.38 127.06 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -81.77 121.17 5.34 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -173.41 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 71.0 54.97 0.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -132.77 77.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.81 126.47 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -134.36 83.15 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.4 m -84.39 -42.64 15.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 24' ' ' SER . 17.3 p -37.64 144.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.151 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -89.75 139.94 30.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.72 104.1 13.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -59.66 123.63 17.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 2.2 pptp? -87.1 35.17 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -132.61 -41.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.5 p -127.52 -2.04 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.56 47.92 2.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.6 t -97.68 -174.69 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.668 ' C ' HD12 ' A' ' 35' ' ' LEU . 36.3 mttp -134.78 127.19 30.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.2 mp -123.73 153.1 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.21 -57.12 14.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 74.9 m -152.32 174.36 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' LEU . 89.2 m -45.62 -49.97 13.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -37.34 -37.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' C ' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -81.43 -36.57 29.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' THR . 13.7 tp -65.29 -39.4 92.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 22.8 m -54.77 -32.07 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.1 m -94.37 -40.83 9.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CB ' HD21 ' A' ' 35' ' ' LEU . 76.4 t60 -59.29 -45.92 89.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.77 -44.95 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 42' ' ' THR . 20.2 m-80 -45.38 -39.44 6.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.8 mt -52.02 -36.17 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -75.5 -51.27 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -54.94 -55.22 33.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.1 pt-20 -46.56 -38.65 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 20.7 mt-10 -67.65 -42.45 82.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.55 -52.04 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -63.5 -45.93 88.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' ARG . 7.2 tptm -56.64 -62.95 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' LYS . 52.9 ttm-85 -34.2 -53.22 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.26 78.23 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.37 143.73 19.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -155.66 165.33 36.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 67.64 47.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -170.15 105.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.97 82.58 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -143.34 109.46 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -149.09 157.49 43.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.78 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.93 175.99 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.3 mt -108.11 153.55 22.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.9 p -99.77 171.73 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 174.65 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -135.56 169.62 17.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -117.18 160.24 21.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -153.19 172.55 16.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -130.96 170.6 14.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.33 173.95 9.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.54 173.52 26.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.24 177.36 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.347 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -151.28 172.7 15.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.48 171.52 18.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -143.09 178.02 7.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -152.36 165.56 34.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -72.69 169.19 17.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -81.63 -57.49 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER 61.58 41.42 12.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.64 154.95 20.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.36 78.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.53 45.55 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 m -162.92 136.01 5.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.7 m -145.02 139.26 27.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.459 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -95.07 153.77 17.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.931 0.396 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -114.82 98.36 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.11 -169.5 12.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 25.8 p -164.01 175.52 10.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 91.4 p -34.85 112.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.0 152.79 7.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 8' ' ' LEU . 1.3 tm? -174.19 119.59 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.361 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.68 149.82 4.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -121.84 -175.04 3.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.77 175.28 8.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.746 ' HD2' HD13 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -112.13 152.4 28.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.806 ' C ' HD12 ' A' ' 14' ' ' ILE . 3.2 pt -133.33 100.6 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.806 HD12 ' C ' ' A' ' 13' ' ' ILE . 4.2 mp -148.37 113.77 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' LEU . 5.3 mp -121.5 168.46 11.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.06 -85.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.6 m120 61.94 39.97 12.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.0 112.39 4.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 134.72 28.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.281 . . . . 0.0 112.311 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.82 42.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.6 mt -116.57 99.13 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -107.62 86.56 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -53.96 174.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' THR . 43.8 t -80.61 -36.11 33.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 80.6 p -34.33 131.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.453 ' CE2' ' HB ' ' A' ' 38' ' ' THR . 3.9 m-85 -85.74 116.52 24.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.9 109.63 20.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -62.67 161.76 11.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.29 -1.53 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -99.35 -37.78 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.5 p -127.54 -8.04 5.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.98 38.47 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 m -87.09 -174.86 5.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.709 ' C ' HD12 ' A' ' 35' ' ' LEU . 43.3 mttt -128.89 128.21 43.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.709 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.4 mp -125.81 160.31 30.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -63.48 -61.93 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 26.7 p -143.43 177.3 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -53.17 -40.93 64.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -47.11 -40.11 14.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -73.56 -35.94 65.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 15.2 tp -64.16 -42.28 96.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.2 m -50.94 -36.57 39.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -88.38 -44.46 10.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CB ' HD21 ' A' ' 35' ' ' LEU . 73.7 t60 -52.13 -45.07 64.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.19 -52.02 67.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -39.1 -42.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.1 mt -50.83 -53.84 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -43.99 -71.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.614 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 0.1 OUTLIER -49.61 -50.03 44.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.05 -42.14 27.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -63.43 -41.85 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -56.5 -44.04 80.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -40.46 -49.66 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -44.28 -48.2 9.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.1 ttt-85 -74.76 -55.65 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.72 40.87 31.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 59.08 52.51 6.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 59' ' ' GLN . 2.4 ptp180 -56.12 -32.91 64.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 35.4 tt0 -170.99 106.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -145.59 142.36 29.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -102.97 106.4 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -160.45 150.78 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -110.18 155.71 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 65' ' ' LEU . 19.9 pt20 -66.28 -53.52 35.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 64' ' ' GLN . 8.9 mt -156.94 177.36 11.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 81.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -156.42 150.66 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -99.41 41.62 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.5 ' C ' ' CD ' ' A' ' 69' ' ' GLN . 1.9 pp0? -54.24 175.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 159.91 40.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -89.2 143.13 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.83 144.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -164.46 159.88 19.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -152.5 165.28 30.9 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.45 174.11 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CG ' ' N ' ' A' ' 77' ' ' ALA . 41.0 t80 -169.35 169.11 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 76' ' ' PHE . . . -151.26 158.81 44.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -135.18 175.57 9.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -166.43 159.23 14.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 33.2 tptt -161.25 152.85 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 4.7 pp0? -112.81 -47.37 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 81' ' ' GLN . 9.4 tt0 35.12 41.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 p -106.16 174.03 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.64 146.35 14.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -178.42 2.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 m -150.01 175.93 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 t -104.55 158.58 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.515 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -130.98 -64.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -165.04 -179.5 5.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.819 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.97 -170.18 19.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.542 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -145.24 179.93 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -146.28 -177.05 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.603 ' C ' HD23 ' A' ' 8' ' ' LEU . . . -166.65 117.03 0.71 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -135.24 136.69 41.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 8' ' ' LEU . 1.5 mptt -152.14 -178.37 6.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -120.36 167.67 12.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -169.93 -178.4 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 63.19 55.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.514 ' O ' ' C ' ' A' ' 14' ' ' ILE . 8.3 tt -66.76 -1.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 13' ' ' ILE . 7.5 mm -28.17 141.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -170.52 173.05 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 17' ' ' ASN . . . 158.72 120.43 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 6.5 m-80 -162.39 147.72 12.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.36 166.36 30.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 98.86 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -91.3 -39.97 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 21' ' ' LEU . 4.2 mm? -51.63 118.38 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.418 ' C ' ' ND2' ' A' ' 23' ' ' ASN . 49.9 tp60 -115.88 81.84 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.418 ' ND2' ' C ' ' A' ' 22' ' ' GLN . 3.0 m-80 -155.33 114.06 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -87.98 42.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.7 p -50.3 171.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -109.36 125.37 52.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 104.83 16.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.69 139.86 56.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.21 28.87 3.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -129.4 -40.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -125.98 -8.99 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.8 t70 69.04 46.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -96.07 -175.0 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.616 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.3 mtmp? -133.15 123.86 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -121.55 160.89 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -65.21 -59.09 4.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 67.5 m -154.41 174.3 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.2 m -42.36 -49.83 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.35 -39.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.26 -40.64 30.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 13.2 tp -58.95 -46.08 88.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.4 m -51.26 -33.29 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -89.06 -37.86 14.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CB ' HD21 ' A' ' 35' ' ' LEU . 60.0 t60 -65.17 -59.95 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.7 mt -46.09 -48.58 17.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -39.66 -40.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.1 mt -51.81 -50.62 31.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -54.3 -59.09 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -45.22 -58.26 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -50.94 -48.29 60.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.85 -40.94 70.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -59.65 -42.45 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -49.71 -48.6 49.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -44.27 -49.96 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -56.6 -62.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 39.25 37.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.29 157.9 45.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -126.45 140.12 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -47.81 167.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 60' ' ' GLU . 2.7 pm0 -43.72 126.91 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -174.12 141.46 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 61' ' ' ARG . 63.0 mtm180 -35.98 109.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -138.63 155.82 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -134.84 123.12 23.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.39 -179.47 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.715 ' C ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -144.23 157.38 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.9 t -171.02 128.44 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.9 tttp -145.28 114.32 6.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -147.82 128.3 14.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -147.48 167.7 23.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.99 175.48 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.27 154.41 16.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -159.56 171.34 19.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -150.3 -177.52 24.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.79 158.86 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -142.85 167.92 20.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.55 153.23 50.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -123.93 166.17 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -144.68 165.38 28.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -84.18 175.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -140.74 174.81 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -135.01 146.99 49.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.2 m -129.21 -60.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.62 123.46 3.31 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -167.65 166.1 14.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.5 m -114.08 150.42 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.493 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -167.27 -176.22 3.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m 63.76 44.85 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.04 117.26 5.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -143.05 168.08 20.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.5 m -151.0 170.48 19.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.0 55.77 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.572 ' C ' HD23 ' A' ' 8' ' ' LEU . 3.1 tt -174.65 108.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' N ' HD23 ' A' ' 8' ' ' LEU . 37.4 mmtt -152.56 131.21 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.35 163.02 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -111.73 -64.56 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.611 ' O ' HD13 ' A' ' 13' ' ' ILE . 9.3 p90 -174.49 170.97 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 12' ' ' PHE . 26.5 mm -147.0 134.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.49 140.42 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mp -142.1 117.64 10.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.9 86.22 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -151.84 110.09 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.27 -174.47 29.04 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.6 3.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.1 119.54 29.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD12 ' H ' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -85.87 -25.89 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.65 ' H ' HD12 ' A' ' 21' ' ' LEU . 51.8 tp60 -168.59 130.29 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 24' ' ' SER . 11.8 m-80 -115.57 -63.56 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 23' ' ' ASN . 42.5 m 34.27 40.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.9 p -60.37 141.31 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.4 m-85 -88.65 114.19 25.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -87.65 118.55 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -73.78 160.34 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -9.54 13.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -88.67 -46.92 8.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -116.81 -12.6 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 67.44 42.05 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.6 t -90.38 -174.29 4.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.681 ' C ' HD12 ' A' ' 35' ' ' LEU . 23.9 mtmm -129.56 124.6 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.1 mp -123.5 160.49 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -62.53 -59.67 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.576 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 49.6 m -152.71 176.39 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -46.94 -38.27 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 38' ' ' THR . . . -50.23 -39.51 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' C ' HD23 ' A' ' 35' ' ' LEU . 8.1 mm-40 -76.02 -39.17 56.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 35' ' ' LEU . 12.7 tp -60.88 -40.66 93.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -53.25 -36.05 60.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 39.6 m -87.86 -42.86 12.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.487 ' CB ' HD21 ' A' ' 35' ' ' LEU . 49.7 t60 -59.26 -56.3 23.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.9 mt -45.6 -48.32 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 92.3 m-20 -39.65 -41.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mt -51.62 -48.87 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -53.68 -47.37 70.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.6 -65.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -44.69 -56.37 4.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -54.83 -44.06 73.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -47.75 -43.7 27.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -76.46 -54.89 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -50.88 8.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.81 -44.17 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.65 34.99 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -118.31 124.27 47.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -79.27 146.27 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 56.36 43.03 26.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -154.14 105.31 2.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -145.99 142.53 28.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -160.38 141.66 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.67 124.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.736 ' C ' HD12 ' A' ' 65' ' ' LEU . 56.9 mm-40 -157.31 106.29 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 64' ' ' GLN . 5.5 mp -156.4 126.88 6.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.9 mt -44.14 120.92 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -87.67 129.74 35.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -83.15 166.72 18.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -79.21 173.66 12.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.82 -37.24 7.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -97.52 38.61 1.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.01 -55.74 31.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.86 -42.62 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.26 -96.49 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.77 111.58 4.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 76' ' ' PHE . 8.8 p90 -131.67 96.23 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -127.37 172.82 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -126.05 174.83 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -167.84 144.62 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' CE ' ' HG3' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -80.05 153.32 28.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -127.07 158.35 37.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' HG3' ' CE ' ' A' ' 80' ' ' LYS . 82.5 mt-10 -146.27 144.73 30.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.7 m -121.52 -52.17 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.52 127.21 3.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 178.52 4.46 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.7 t -150.7 152.29 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.7 p -163.05 166.75 23.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.48 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -138.74 157.84 45.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 t -142.23 165.38 27.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.66 148.35 5.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -168.67 151.1 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.889 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -142.44 161.99 36.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.79 83.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.0 tp -116.9 -49.52 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' CE ' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -38.18 132.53 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -167.92 146.7 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -145.05 175.47 10.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 3.5 p90 -143.39 176.43 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.43 ' C ' HG13 ' A' ' 14' ' ' ILE . 43.3 pt -140.87 140.94 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.43 HG13 ' C ' ' A' ' 13' ' ' ILE . 56.0 mt -145.15 138.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -116.43 119.48 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.5 137.66 6.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -156.11 158.3 37.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.99 120.38 1.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.69 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.2 mtt85 -73.8 170.43 15.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.8 mt -46.25 112.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -103.14 85.24 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -162.77 175.57 11.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -104.11 106.07 16.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.814 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.2 p -117.68 164.8 14.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.9 m-85 -110.52 113.44 26.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.07 104.6 12.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 t -63.39 126.92 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.36 18.96 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 6.2 m80 -112.65 -37.95 4.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.4 p -133.11 -0.41 3.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.41 43.02 4.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 t -93.75 -174.86 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.581 ' C ' HD12 ' A' ' 35' ' ' LEU . 17.6 mtmm -134.46 124.6 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.4 mp -121.57 160.7 23.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -67.4 -64.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 11.2 p -141.92 177.77 7.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.8 m -50.31 -47.74 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.2 -39.48 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -76.25 -37.06 58.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' CD1' HD22 ' A' ' 35' ' ' LEU . 13.8 tp -66.53 -35.05 79.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.9 m -58.17 -29.67 65.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.6 m -94.13 -41.04 9.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CB ' HD21 ' A' ' 35' ' ' LEU . 64.9 t60 -62.48 -44.6 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.0 mt -56.61 -45.03 81.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.09 -43.85 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.9 mt -48.04 -38.61 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 35.2 m-70 -72.15 -60.76 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -45.46 -53.5 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 15.2 pt-20 -53.25 -35.43 59.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 6.0 mm-40 -75.33 -43.57 50.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -50.99 -41.47 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -46.57 -40.91 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -67.65 -42.6 81.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mtt85 -59.7 -40.44 87.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.15 37.34 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.83 157.56 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -59.3 151.23 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -162.93 172.28 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.03 34.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -132.21 37.81 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -138.72 178.88 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 2.0 tmtm? -174.91 137.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.15 164.99 7.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -144.02 159.5 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -101.41 168.84 9.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.0 p -138.68 171.06 14.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -168.31 147.12 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 pm0 -169.72 147.56 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -167.03 134.99 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -143.81 156.45 44.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -171.39 159.01 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -120.99 -57.8 1.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 160.13 23.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -147.5 177.43 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -121.03 -61.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.666 ' HB1' ' CE1' ' A' ' 79' ' ' PHE . . . -174.61 173.88 2.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 77' ' ' ALA . 7.6 m-20 -168.58 113.39 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.666 ' CE1' ' HB1' ' A' ' 77' ' ' ALA . 12.4 m-85 -134.7 123.45 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.81 151.76 31.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -151.27 156.28 40.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -174.8 170.76 3.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.8 m -87.57 164.87 15.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.81 142.95 7.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 175.08 8.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.3 p -153.86 116.94 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -171.46 121.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.463 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -160.64 170.66 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -137.95 177.96 7.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.01 151.11 17.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -159.98 161.5 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -136.58 165.17 26.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.33 170.51 35.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.54 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -172.64 120.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.869 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 pptp? -56.07 143.58 32.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' CD ' ' O ' ' A' ' 8' ' ' LEU . 1.4 mpt_? -125.15 177.8 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -154.39 164.28 38.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -105.71 172.51 6.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -144.87 154.01 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.787 HG22 ' H ' ' A' ' 16' ' ' GLY . 4.8 mp -120.66 143.34 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.7 pp -111.63 30.09 7.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.787 ' H ' HG22 ' A' ' 14' ' ' ILE . . . -35.77 129.96 0.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -88.18 -58.12 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.14 163.51 0.9 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.89 34.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -83.9 -60.28 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.3 mt -103.05 111.62 24.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -108.97 -21.9 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' SER . 14.5 m120 -94.88 21.6 7.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' ASN . 90.5 p 35.74 39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -63.8 142.03 58.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.5 m-85 -83.5 156.3 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -123.48 103.05 8.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.76 123.13 14.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -90.92 32.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -128.74 -40.29 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 p -125.22 -9.85 7.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 t70 74.42 46.02 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.7 t -103.31 -174.56 2.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.66 ' C ' HD12 ' A' ' 35' ' ' LEU . 52.7 mttm -132.62 129.54 39.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 34' ' ' LYS . 8.5 mp -125.84 161.87 26.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -65.47 -47.39 76.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.542 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 1.8 m -173.67 -177.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -41.01 -61.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -31.68 -36.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' THR . 30.9 mm-40 -86.46 -43.06 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 10.8 tp -60.43 -51.03 71.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.486 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 97.7 m -46.15 -38.17 7.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -82.68 -53.03 6.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.473 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.7 t60 -49.39 -36.2 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -64.03 -44.47 92.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 42' ' ' THR . 2.6 m120 -46.17 -37.33 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mt -60.68 -36.49 71.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -71.52 -51.86 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -55.82 -53.2 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 6.4 pt-20 -50.42 -33.47 21.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 53.8 mt-10 -71.77 -49.93 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.81 -43.51 76.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -65.3 -53.14 48.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -61.62 -62.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -38.75 -32.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.15 44.76 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -108.91 -59.79 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -106.06 157.09 17.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -51.37 122.49 7.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -106.4 154.46 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -70.79 170.16 13.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -70.37 -174.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.815 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 62' ' ' ARG . 12.6 mmtm -50.77 -176.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -117.05 157.58 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.8 mt -78.1 158.43 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -114.5 168.18 10.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t -148.36 156.84 43.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -104.86 177.75 4.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 70' ' ' LYS . 31.1 tt0 -145.97 153.24 40.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' N ' ' HG2' ' A' ' 69' ' ' GLN . 6.9 tmtm? -163.81 144.54 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.424 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 4.7 p90 -148.23 175.02 11.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.04 176.29 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.086 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.33 -66.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 130.74 -156.58 21.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -174.1 174.18 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -162.42 172.56 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.89 172.21 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -155.57 169.26 24.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.29 174.53 10.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -139.89 153.68 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -141.64 152.13 43.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -127.04 172.77 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 t -173.28 148.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.97 69.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 174.08 10.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 t -135.64 131.5 35.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m -92.33 -64.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 m -100.05 176.69 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -81.09 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.21 171.7 18.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -52.1 148.52 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -123.15 160.15 27.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.12 -108.99 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mp 55.35 48.5 19.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -39.46 147.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -171.01 168.4 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.49 155.54 27.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -106.41 136.08 46.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 tt -100.87 138.12 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.46 117.34 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.0 mt -109.27 80.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.64 46.16 0.26 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.536 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -119.77 97.4 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.25 69.19 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -1.0 7.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.312 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -59.42 92.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -105.17 -61.56 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -121.97 71.61 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -128.2 79.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.1 t -117.51 142.89 46.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.4 p -134.19 141.65 47.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -93.7 125.53 38.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -94.48 92.42 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.0 t -46.29 118.63 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD2' ' ND1' ' A' ' 30' ' ' HIS . 2.8 pptp? -84.25 31.33 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' ND1' ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -128.57 -42.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -123.03 -10.75 8.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.1 t70 74.76 42.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -96.91 -175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' C ' HD12 ' A' ' 35' ' ' LEU . 25.2 mtmm -134.52 120.03 19.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 41' ' ' LEU . 7.5 mp -116.53 161.42 19.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -69.66 -60.48 2.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -149.08 176.24 10.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LEU . 31.8 m -46.24 -51.6 14.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.38 -39.22 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -80.96 -38.36 27.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 35' ' ' LEU . 12.1 tp -62.19 -46.06 90.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -50.16 -34.62 23.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -88.2 -44.3 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CB ' HD21 ' A' ' 35' ' ' LEU . 70.6 t60 -55.52 -55.07 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 mt -52.11 -49.59 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -40.9 -40.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 44' ' ' HIS . 32.2 mt -55.72 -52.01 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -48.82 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -51.79 -53.81 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -44.74 -42.78 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.39 -42.23 45.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -52.89 -49.08 66.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -42.18 -46.09 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -60.96 -51.47 69.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.59 -64.48 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.65 42.31 2.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -46.16 151.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -59.77 -45.5 92.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -87.64 125.26 34.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -147.01 -178.74 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -85.87 140.45 30.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -102.72 156.71 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' N ' ' HE3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -149.2 158.99 44.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -99.38 142.45 30.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 tp -123.8 135.9 54.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.2 mt -109.61 143.7 38.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m -117.21 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.87 145.28 16.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -133.41 -72.48 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -151.21 172.12 16.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -121.32 153.79 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.29 110.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -98.36 -47.04 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.59 174.2 32.36 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.72 144.05 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 111.07 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -128.06 149.65 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.2 147.09 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -126.21 89.66 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -168.83 172.34 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -174.78 160.66 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.472 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 74.1 mm-40 -153.76 124.76 7.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -84.91 42.37 0.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 t -100.54 139.11 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 140.75 -125.56 2.88 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.12 56.17 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.0 m 57.85 44.3 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.8 p -102.83 100.61 10.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.467 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -136.25 139.86 43.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -154.06 168.0 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.85 -128.47 5.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -145.87 155.34 42.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 t -118.25 162.49 18.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.93 179.27 16.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' C ' ' HE2' ' A' ' 9' ' ' LYS . 17.6 mt -93.7 176.06 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' N ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -95.24 161.69 14.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.7 mtp180 -150.17 166.93 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -132.41 170.51 15.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -101.9 157.12 17.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.9 tt -69.88 137.82 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 mp -91.61 125.37 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.38 132.8 54.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.23 -171.99 22.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.537 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.4 p-10 -79.7 84.33 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -45.19 136.12 7.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 98.25 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.353 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -65.9 -49.35 68.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.33 128.51 35.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.36 177.71 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -122.76 40.73 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 t 41.75 40.82 1.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 p -57.43 168.88 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 2.8 m-85 -112.07 123.88 51.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -85.03 95.84 9.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.93 112.13 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -79.62 14.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 10.9 m80 -102.75 -51.28 3.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 p -119.51 4.94 11.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 62.26 42.22 9.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 27' ' ' GLN . 10.4 t -101.78 -174.03 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' C ' HD12 ' A' ' 35' ' ' LEU . 5.0 mtmp? -135.5 132.17 36.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' C ' ' A' ' 34' ' ' LYS . 7.7 mp -124.3 156.85 36.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.419 ' HG2' ' CD ' ' A' ' 40' ' ' GLU . 4.9 pt20 -63.76 -41.06 98.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -174.6 173.21 2.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' LEU . 59.3 m -41.66 -50.93 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -35.71 -40.26 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' CD ' ' HG2' ' A' ' 36' ' ' GLN . 10.6 mt-10 -83.24 -36.56 24.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 HD22 ' A' ' 35' ' ' LEU . 12.0 tp -61.63 -45.37 94.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.1 m -48.8 -37.25 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -89.65 -37.04 14.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' CB ' HD21 ' A' ' 35' ' ' LEU . 82.2 t60 -61.7 -61.83 2.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 mt -45.91 -47.87 16.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -40.24 -42.52 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -52.03 -48.46 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 22.0 m-70 -55.2 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -55.47 -62.07 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -43.22 -49.23 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -53.48 -43.97 68.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -53.61 -48.85 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -42.61 -59.13 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -56.15 -50.07 72.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 57' ' ' LYS . 70.6 mtm-85 -43.67 -42.67 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 55' ' ' ARG . . . -34.67 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' ARG . 40.2 mmtt -89.27 77.07 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -81.09 -55.39 4.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 38.45 42.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 61' ' ' ARG . 5.7 mm-40 -91.83 176.51 6.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 60' ' ' GLU . 34.7 ttm-85 -34.34 -58.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 63' ' ' LYS . 41.1 ttt180 -133.16 -66.38 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 62' ' ' ARG . 17.4 tptm 33.01 46.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -127.84 153.25 46.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.6 pp -148.02 134.11 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mt -127.08 157.57 39.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -65.94 169.91 6.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' HE2' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -89.33 -72.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -145.74 145.33 30.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -88.93 39.13 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -167.17 173.9 8.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -148.03 126.36 12.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -110.93 -48.97 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.51 131.8 4.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.95 138.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -84.45 176.59 8.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.84 128.17 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -87.21 167.25 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -144.81 143.71 30.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.81 146.71 24.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -154.7 117.14 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -119.57 -44.91 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -92.26 138.04 31.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.96 9.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.73 9.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 m -152.45 170.16 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -132.71 155.1 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.412 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p 38.38 42.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -49.07 162.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.95 -142.73 7.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.451 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -158.81 145.9 17.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.787 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -120.49 176.9 5.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.55 -150.16 7.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -160.94 125.14 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 0.0 110.943 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -143.33 166.73 23.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -117.74 176.25 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -135.7 164.41 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -116.39 153.61 31.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.425 ' C ' HG13 ' A' ' 14' ' ' ILE . 46.9 pt -123.96 165.84 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.425 HG13 ' C ' ' A' ' 13' ' ' ILE . 53.8 mt -144.9 109.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mp -143.42 114.85 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.55 166.52 2.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -153.14 156.87 39.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.84 126.81 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 151.84 68.93 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.43 40.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD12 ' ND2' ' A' ' 23' ' ' ASN . 4.6 mm? -108.12 117.01 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -111.91 41.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.596 ' ND2' HD12 ' A' ' 21' ' ' LEU . 69.0 m-20 -88.42 161.84 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 m -65.33 108.54 1.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.2 p -125.46 156.34 39.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' CE1' ' HA ' ' A' ' 37' ' ' SER . 3.8 m-85 -111.58 117.16 32.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -89.45 95.7 10.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.4 t -52.69 117.73 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -84.21 27.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -120.75 -44.04 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 33' ' ' SER . 14.0 p -123.28 -8.56 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.4 t70 74.79 45.1 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.401 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -102.74 -174.15 2.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.587 ' C ' HD12 ' A' ' 35' ' ' LEU . 29.1 mtmm -134.44 123.71 24.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.4 mp -120.3 150.25 41.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -56.82 -61.07 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 3.4 t -154.04 177.83 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' LEU . 18.7 m -42.65 -53.43 4.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -34.63 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -85.3 -38.92 18.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD12 HD22 ' A' ' 35' ' ' LEU . 12.8 tp -61.7 -34.44 75.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.8 m -60.55 -34.13 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.0 m -89.33 -39.28 13.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.612 ' CB ' HD21 ' A' ' 35' ' ' LEU . 80.4 t60 -64.62 -46.91 80.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -59.03 -40.81 86.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -46.69 -37.22 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.36 -33.38 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -78.87 -64.14 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -39.02 -55.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -55.07 -39.62 69.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.85 -43.66 78.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -68.29 -35.93 78.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -72.16 -41.77 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -61.4 -54.55 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -72.43 -52.15 17.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 58.03 36.82 26.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.68 143.26 42.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -46.14 127.39 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.0 pm0 -77.69 179.01 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 68.77 44.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.13 160.31 17.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -64.48 82.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -155.74 112.12 3.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -143.22 132.4 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.29 111.62 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.0 tp -165.29 111.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -172.46 161.56 5.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.17 81.53 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 38.5 tp60 -120.37 90.26 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -112.43 84.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -146.74 142.72 28.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -164.45 167.25 19.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -135.32 157.12 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 167.29 -65.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 71.99 40.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -113.4 160.79 18.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.58 147.94 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -161.29 169.78 21.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -168.2 144.35 3.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -87.99 147.64 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' GLU . 15.3 tp60 -120.13 -42.92 2.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' GLN . 12.2 pt-20 -34.51 136.71 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.4 p -141.56 178.02 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -141.89 124.62 2.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 176.69 6.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.03 164.92 17.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.5 p -112.8 167.12 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.472 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 p -79.83 171.08 15.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -152.06 168.69 24.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.29 174.58 35.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -169.89 169.28 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -138.75 165.23 27.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.557 ' C ' HD13 ' A' ' 8' ' ' LEU . . . 172.4 156.43 12.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.768 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -136.61 173.32 11.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.395 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 8' ' ' LEU . 3.2 mptt -151.57 166.09 32.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.07 137.01 24.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.566 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 47.4 m-20 -154.8 107.65 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 11' ' ' ASP . 5.9 m-85 -158.1 141.38 15.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 pt -145.27 106.38 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.1 mt -121.77 115.37 46.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -106.37 126.57 52.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.488 ' N ' HD13 ' A' ' 15' ' ' LEU . . . -72.5 -152.29 1.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.436 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.77 167.46 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.59 -164.51 35.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -51.08 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 65.89 43.35 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.91 172.59 6.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -141.16 135.07 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -143.96 174.33 10.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.7 m -103.56 41.25 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -81.58 161.99 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 3.1 m-85 -89.06 122.89 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -98.42 127.48 44.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.5 t -83.32 164.06 20.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -115.17 -9.9 12.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -89.88 -38.21 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -128.79 -10.22 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 65.16 42.0 4.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 t -89.13 -171.7 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -129.72 111.99 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD22 HD12 ' A' ' 41' ' ' LEU . 10.5 mp -110.74 140.22 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -46.79 -56.98 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.529 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 1.8 t -161.33 179.38 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' GLU . 19.9 m -42.88 -53.59 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -33.11 -35.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 38' ' ' THR . 15.1 mt-10 -89.34 -42.38 11.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD12 HD22 ' A' ' 35' ' ' LEU . 12.4 tp -56.84 -43.68 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.2 m -52.93 -37.68 61.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -83.52 -46.0 12.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' HA ' HD12 ' A' ' 47' ' ' ILE . 86.3 t60 -57.77 -58.07 9.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.3 -50.58 6.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -42.57 -44.54 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 44' ' ' HIS . 29.6 mt -51.29 -37.97 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -73.85 -53.3 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -53.56 -51.5 62.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 6.4 pt-20 -51.1 -36.62 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 5.6 mm-40 -67.34 -41.93 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -55.18 -50.36 69.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 54' ' ' LYS . 35.5 mm-40 -58.73 -53.86 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' GLN . 7.2 mtpp -34.52 -40.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -82.28 -52.49 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 49.35 40.4 18.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -111.81 -53.95 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -44.37 -44.37 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.472 ' HA ' ' NE2' ' A' ' 59' ' ' GLN . 6.0 mm-40 -124.47 115.0 20.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -94.56 -58.98 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -93.33 144.24 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -155.02 149.32 26.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -164.2 117.68 1.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -150.75 107.25 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 66' ' ' LEU . 3.9 tp -113.45 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 65' ' ' LEU . 18.0 mt -119.95 94.41 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.2 p -59.96 156.01 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.72 155.67 35.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -98.32 151.65 20.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.02 159.1 10.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -147.66 156.65 43.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.86 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -160.28 172.28 17.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.23 13.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.453 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -151.37 176.93 10.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.06 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -135.03 174.3 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.07 159.16 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.065 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -160.06 161.49 33.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -153.97 112.9 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 81' ' ' GLN . 7.6 pttm -114.32 -34.17 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 24.4 mp0 -49.43 149.5 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -145.88 160.37 41.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 t -126.5 165.21 19.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -153.95 95.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.29 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 m -160.63 174.89 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -171.48 155.59 4.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.472 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -154.26 154.57 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -162.74 142.73 9.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.74 153.18 23.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 p -168.9 144.49 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -148.55 150.59 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.59 122.28 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -174.19 121.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.887 0.375 . . . . 0.0 110.929 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.69 131.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.21 178.09 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -167.19 177.06 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -137.36 175.38 9.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.5 mt -139.12 139.22 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mm -120.26 121.13 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.0 166.05 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -157.24 -139.11 2.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -138.44 138.74 38.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.54 -107.26 2.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 113.99 3.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -91.29 166.61 12.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.09 121.99 38.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.52 116.82 31.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -144.98 122.31 11.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.9 m -53.55 107.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 p -122.1 143.94 49.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -73.51 119.6 17.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -93.04 89.74 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.2 t -45.34 141.49 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.15 21.29 15.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -117.62 -35.57 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.8 p -133.1 -1.14 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 64.44 40.26 6.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -87.71 -174.93 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -136.08 111.45 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 44' ' ' HIS . 8.8 mp -109.47 161.99 14.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.51 -67.14 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 p -138.84 176.29 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 64.6 m -49.69 -46.52 50.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.06 -34.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.073 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -82.0 -38.94 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 35' ' ' LEU . 13.4 tp -63.85 -36.12 82.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -57.36 -34.52 68.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.403 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 69.4 m -90.56 -42.99 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.529 ' CB ' HD21 ' A' ' 35' ' ' LEU . 59.2 t60 -58.8 -54.59 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -47.31 -47.41 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 43' ' ' SER . 92.0 m-20 -41.06 -40.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.516 HG22 ' OE2' ' A' ' 51' ' ' GLU . 84.7 mt -49.33 -48.98 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.24 -45.52 92.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -53.76 -48.83 69.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.14 -45.99 89.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' OE2' HG22 ' A' ' 47' ' ' ILE . 41.2 mt-10 -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -45.16 -45.6 11.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -48.84 -50.51 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -59.34 -51.3 70.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -54.85 -31.59 59.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.17 70.69 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -109.64 -178.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -75.69 161.76 28.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -49.29 168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 62.26 54.41 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 61' ' ' ARG . 21.0 ttp-105 -108.2 143.1 37.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -62.68 165.36 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -130.27 151.45 50.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.444 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 12.8 pt20 -79.14 172.84 13.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mp -104.41 164.3 11.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -146.35 141.64 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -87.94 178.78 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -106.21 178.89 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.43 177.74 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -97.77 -27.96 14.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 53.95 49.8 18.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.98 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.72 -178.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -150.86 161.17 43.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -177.93 121.32 0.76 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.77 -63.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -98.72 136.92 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.66 -62.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -174.94 163.79 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -139.69 112.35 7.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -171.26 150.99 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.1 150.5 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -145.75 169.69 18.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 56.4 p -142.37 175.63 9.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.22 145.4 10.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.3 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.0 m -98.93 170.2 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.5 m -70.81 -58.94 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.469 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 1' ' ' GLY . 26.2 p 35.03 41.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 p -121.95 176.24 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.49 -179.93 45.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -171.59 168.24 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -128.53 156.2 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.94 163.06 12.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.94 176.63 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.95 172.88 14.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -143.1 150.47 39.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.09 166.11 14.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -122.55 166.1 15.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 tt -110.41 139.13 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 14' ' ' ILE . 5.0 mp -102.71 84.97 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.8 pp -129.57 167.42 17.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' ASN . . . -174.61 136.28 3.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.52 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' GLY . 31.2 m-80 -34.29 -53.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . 34.86 66.99 0.29 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 134.7 28.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.689 ' C ' HD22 ' A' ' 21' ' ' LEU . 20.5 mmt180 -90.42 114.34 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 HD22 ' C ' ' A' ' 20' ' ' ARG . 4.3 mm? -130.96 160.0 35.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -79.58 124.86 28.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -139.88 138.73 35.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.3 t -93.28 84.95 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.11 149.62 24.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 2.6 m-85 -91.32 130.42 37.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -102.74 98.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.1 t -56.14 131.51 47.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.68 17.17 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -111.9 -50.32 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 p -118.15 -1.58 11.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.63 41.18 5.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.7 p -93.34 177.23 6.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.618 ' C ' HD12 ' A' ' 35' ' ' LEU . 37.2 mtmt -128.69 119.55 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD22 HD12 ' A' ' 41' ' ' LEU . 5.4 mp -118.22 144.74 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.76 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 26' ' ' TYR . 3.8 t -164.88 177.69 7.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' LEU . 28.8 m -41.54 -52.3 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' THR . . . -36.01 -38.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -82.85 -39.99 20.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 HD22 ' A' ' 35' ' ' LEU . 11.1 tp -59.9 -50.08 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.4 m -45.91 -35.66 4.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.6 m -85.73 -44.6 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.458 ' CB ' HD21 ' A' ' 35' ' ' LEU . 74.8 t60 -60.46 -60.57 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.74 -51.13 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -38.7 -40.94 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.4 mt -52.6 -48.72 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -54.51 -44.69 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -52.39 -56.67 13.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -54.87 -29.9 56.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -78.69 -34.09 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -74.16 -45.98 45.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' OE1' ' N ' ' A' ' 54' ' ' LYS . 1.0 OUTLIER -54.73 -39.17 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 5.0 ttmm -76.46 -42.31 44.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 56' ' ' ALA . 1.3 tmm_? -47.75 -43.34 27.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' N ' ' HD2' ' A' ' 55' ' ' ARG . . . -37.57 -44.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.11 42.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 37.6 45.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' C ' ' OE2' ' A' ' 60' ' ' GLU . 15.3 tp60 -94.96 81.49 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' OE2' ' C ' ' A' ' 59' ' ' GLN . 8.1 mp0 -134.7 131.43 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.6 tpt85 -112.63 -56.34 2.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -67.97 161.14 27.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -112.9 123.81 51.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -50.79 163.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.3 mt -143.5 171.68 13.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 66' ' ' LEU . 7.6 mp -75.43 177.46 6.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -156.71 -178.76 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -108.64 163.15 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -124.41 153.97 41.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -126.35 -179.87 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -139.28 172.72 12.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -175.17 171.42 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.082 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -171.6 178.05 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 75' ' ' ALA . . . 131.93 -151.74 19.92 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 74' ' ' GLY . . . 74.73 54.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.829 0.347 . . . . 0.0 111.078 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -102.36 139.22 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.15 155.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -174.85 137.74 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.73 -67.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER 75.0 50.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.462 ' CD ' ' O ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -164.88 145.96 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -174.87 123.09 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 t -90.37 -62.38 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 106.56 133.8 7.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -171.67 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -148.54 171.43 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 p -120.68 175.97 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.469 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_